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Summary Geometry Related PDB entries

D04

Summary

Name:	4-(4-cyclohexyl-1H-1,2,3-triazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide
Formula:	C14 H14 F4 N4 O2 S
Formal charge:	0
Formula weight:	378.345 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-(4-cyclohexyl-1H-1,2,3-triazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide
OpenEye OEToolkits	1.7.0	4-(4-cyclohexyl-1,2,3-triazol-1-yl)-2,3,5,6-tetrafluoro-benzenesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(c1c(F)c(F)c(c(F)c1F)n2nnc(c2)C3CCCCC3)N
SMILES_CANONICAL	CACTVS	3.370	N[S](=O)(=O)c1c(F)c(F)c(n2cc(nn2)C3CCCCC3)c(F)c1F
SMILES	CACTVS	3.370	N[S](=O)(=O)c1c(F)c(F)c(n2cc(nn2)C3CCCCC3)c(F)c1F
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	c1c(nnn1c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C3CCCCC3
SMILES	OpenEye OEToolkits	1.7.0	c1c(nnn1c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C3CCCCC3
InChI	InChI	1.03	InChI=1S/C14H14F4N4O2S/c15-9-11(17)14(25(19,23)24)12(18)10(16)13(9)22-6-8(20-21-22)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,19,23,24)
InChIKey	InChI	1.03	RAGBVAFIIJNDRZ-UHFFFAOYSA-N

222415

PDB entries from 2024-07-10

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