N-(4-cyano-2-fluorophenyl)-5-pyridin-3-yl-1H-pyrrole-3-sulfonamide

C16H11FN4O2S — CID 166153637

IUPACN-(4-cyano-2-fluorophenyl)-5-pyridin-3-yl-1H-pyrrole-3-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2c[nH]c(-c3cccnc3)c2)c(F)c1
InChIInChI=1S/C16H11FN4O2S/c17-14-6-11(8-18)3-4-15(14)21-24(22,23)13-7-16(20-10-13)12-2-1-5-19-9-12/h1-7,9-10,20-21H
InChIKeyOHMBTMBESPTNRJ-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.89
Rot. Bonds4

About N-(4-cyano-2-fluorophenyl)-5-pyridin-3-yl-1H-pyrrole-3-sulfonamide

N-(4-cyano-2-fluorophenyl)-5-pyridin-3-yl-1H-pyrrole-3-sulfonamide (PubChem CID 166153637) has the molecular formula C16H11FN4O2S and a molecular weight of 342.36 g/mol. Its IUPAC name is N-(4-cyano-2-fluorophenyl)-5-pyridin-3-yl-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-cyano-2-fluorophenyl)-5-pyridin-3-yl-1H-pyrrole-3-sulfonamide
PubChem CID166153637
Molecular FormulaC16H11FN4O2S
Molecular Weight342.36 g/mol
Exact Mass342.06
IUPAC NameN-(4-cyano-2-fluorophenyl)-5-pyridin-3-yl-1H-pyrrole-3-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2c[nH]c(-c3cccnc3)c2)c(F)c1
InChIInChI=1S/C16H11FN4O2S/c17-14-6-11(8-18)3-4-15(14)21-24(22,23)13-7-16(20-10-13)12-2-1-5-19-9-12/h1-7,9-10,20-21H
InChIKeyOHMBTMBESPTNRJ-UHFFFAOYSA-N
XLogP2.89
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyano-2-fluorophenyl)-5-thiophen-3-yl-1H-pyrrole-3-sulfonamide
CID 167206651
N-(7-fluoroquinolin-6-yl)-5-phenyl-1H-pyrrole-3-sulfonamide
CID 166153374
N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide
CID 62105428
3-fluoro-4-(pyridin-3-ylamino)benzonitrile
CID 43657005
3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide
CID 106605845
N-(4-cyano-2-fluorophenyl)-4-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide
CID 166153747
N-(4-cyano-2-fluorophenyl)-2-methylpyrazole-3-sulfonamide
CID 115744817
N-(5-cyano-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61274022
2-chloro-4-cyano-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 104694683
4-benzyl-N-(4-cyano-2-fluorophenyl)-5-fluoro-1H-pyrrole-3-sulfonamide
CID 166153238
N-(4-cyano-2-pyridinyl)pyridine-3-sulfonamide
CID 86819051
3-cyano-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 62815564

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-fluorophenyl)-5-pyridin-3-yl-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(4-cyano-2-fluorophenyl)-5-pyridin-3-yl-1H-pyrrole-3-sulfonamide (CID 166153637) is N-(4-cyano-2-fluorophenyl)-5-pyridin-3-yl-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(4-cyano-2-fluorophenyl)-5-pyridin-3-yl-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(4-cyano-2-fluorophenyl)-5-pyridin-3-yl-1H-pyrrole-3-sulfonamide is N#Cc1ccc(NS(=O)(=O)c2c[nH]c(-c3cccnc3)c2)c(F)c1.
What is the InChIKey of N-(4-cyano-2-fluorophenyl)-5-pyridin-3-yl-1H-pyrrole-3-sulfonamide?
The InChIKey is OHMBTMBESPTNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2S/c17-14-6-11(8-18)3-4-15(14)21-24(22,23)13-7-16(20-10-13)12-2-1-5-19-9-12/h1-7,9-10,20-21H.
What are the key properties of N-(4-cyano-2-fluorophenyl)-5-pyridin-3-yl-1H-pyrrole-3-sulfonamide?
N-(4-cyano-2-fluorophenyl)-5-pyridin-3-yl-1H-pyrrole-3-sulfonamide has a molecular weight of 342.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-fluorophenyl)-5-pyridin-3-yl-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 166153637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).