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Summary Geometry Related PDB entries

Y5B

Summary

Name:	N-[([1,1'-biphenyl]-4-yl)methyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide
Formula:	C28 H21 F6 N O3 S
Formal charge:	0
Formula weight:	565.527 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[([1,1'-biphenyl]-4-yl)methyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide
OpenEye OEToolkits	2.0.7	~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}-[(4-phenylphenyl)methyl]benzenesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(N(Cc1ccc(cc1)c1ccccc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChI	InChI	1.06	InChI=1S/C28H21F6NO3S/c29-27(30,31)26(36,28(32,33)34)23-15-17-24(18-16-23)35(39(37,38)25-9-5-2-6-10-25)19-20-11-13-22(14-12-20)21-7-3-1-4-8-21/h1-18,36H,19H2
InChIKey	InChI	1.06	QNAWYCWKQPMYME-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	OC(c1ccc(cc1)N(Cc2ccc(cc2)c3ccccc3)[S](=O)(=O)c4ccccc4)(C(F)(F)F)C(F)(F)F
SMILES	CACTVS	3.385	OC(c1ccc(cc1)N(Cc2ccc(cc2)c3ccccc3)[S](=O)(=O)c4ccccc4)(C(F)(F)F)C(F)(F)F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2ccc(cc2)CN(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2ccc(cc2)CN(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c4ccccc4

250835

PDB entries from 2026-03-18

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