N-(4-cyano-2-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide

C17H11F2N3O2S — CID 166153747

IUPACN-(4-cyano-2-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2c[nH]cc2-c2ccc(F)cc2)c(F)c1
InChIInChI=1S/C17H11F2N3O2S/c18-13-4-2-12(3-5-13)14-9-21-10-17(14)25(23,24)22-16-6-1-11(8-20)7-15(16)19/h1-7,9-10,21-22H
InChIKeyZOSNQUMNPROARL-UHFFFAOYSA-N
MW359.36 g/mol
LogP3.63
Rot. Bonds4

About N-(4-cyano-2-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide

N-(4-cyano-2-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide (PubChem CID 166153747) has the molecular formula C17H11F2N3O2S and a molecular weight of 359.36 g/mol. Its IUPAC name is N-(4-cyano-2-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-cyano-2-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide
PubChem CID166153747
Molecular FormulaC17H11F2N3O2S
Molecular Weight359.36 g/mol
Exact Mass359.05
IUPAC NameN-(4-cyano-2-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2c[nH]cc2-c2ccc(F)cc2)c(F)c1
InChIInChI=1S/C17H11F2N3O2S/c18-13-4-2-12(3-5-13)14-9-21-10-17(14)25(23,24)22-16-6-1-11(8-20)7-15(16)19/h1-7,9-10,21-22H
InChIKeyZOSNQUMNPROARL-UHFFFAOYSA-N
XLogP3.63
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide
CID 70140206
N-(4-cyano-2-fluorophenyl)-4-[[3-(dimethylamino)phenyl]methyl]-1H-pyrrole-3-sulfonamide
CID 167206949
N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide
CID 103791874
4-benzyl-N-(4-cyano-2-fluorophenyl)-5-fluoro-1H-pyrrole-3-sulfonamide
CID 166153238
2-tert-butyl-N-(4-cyano-2-fluorophenyl)-4H-thieno[3,2-b]pyrrole-6-sulfonamide
CID 171650317
N-(4-cyano-2-fluorophenyl)-2-methylpyrazole-3-sulfonamide
CID 115744817
N-(4-cyano-2-fluorophenyl)-5-thiophen-3-yl-1H-pyrrole-3-sulfonamide
CID 167206651
5-cyano-N-(2,5-difluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 71970973
3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide
CID 106605845
N-(4-cyano-2-fluorophenyl)-5-pyridin-3-yl-1H-pyrrole-3-sulfonamide
CID 166153637
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
N-(4-cyano-2-fluorophenyl)-6-methoxy-6-methyl-1,4,5,7-tetrahydroindole-3-sulfonamide
CID 171649847

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(4-cyano-2-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide (CID 166153747) is N-(4-cyano-2-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(4-cyano-2-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(4-cyano-2-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide is N#Cc1ccc(NS(=O)(=O)c2c[nH]cc2-c2ccc(F)cc2)c(F)c1.
What is the InChIKey of N-(4-cyano-2-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is ZOSNQUMNPROARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O2S/c18-13-4-2-12(3-5-13)14-9-21-10-17(14)25(23,24)22-16-6-1-11(8-20)7-15(16)19/h1-7,9-10,21-22H.
What are the key properties of N-(4-cyano-2-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide?
N-(4-cyano-2-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 359.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 166153747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).