N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide

C11H6ClFN2O2S2 — CID 106267208

IUPACN-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C11H6ClFN2O2S2/c12-9-5-7(1-3-10(9)13)15-19(16,17)11-4-2-8(6-14)18-11/h1-5,15H
InChIKeyDWQWJESKSOKRSV-UHFFFAOYSA-N
MW316.77 g/mol
LogP3.21
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide

N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide (PubChem CID 106267208) has the molecular formula C11H6ClFN2O2S2 and a molecular weight of 316.77 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
PubChem CID106267208
Molecular FormulaC11H6ClFN2O2S2
Molecular Weight316.77 g/mol
Exact Mass315.95
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C11H6ClFN2O2S2/c12-9-5-7(1-3-10(9)13)15-19(16,17)11-4-2-8(6-14)18-11/h1-5,15H
InChIKeyDWQWJESKSOKRSV-UHFFFAOYSA-N
XLogP3.21
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106272309
N-(3-chloro-4-fluorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191076
5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
CID 106269400
N-(4-amino-3-methylphenyl)-5-cyanothiophene-2-sulfonamide
CID 106265196
N-(2-bromo-5-chlorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106268722
5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106269600
5-cyano-N-(4-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 106266948
5-cyano-N-(3-iodo-4-methylphenyl)thiophene-2-sulfonamide
CID 114189417
N-(3-chloro-5-fluoro-2-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106272334
N-(2-bromo-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106269382
4-chloro-N-(3-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 4849983
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide (CID 106267208) is N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)s1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide?
The InChIKey is DWQWJESKSOKRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O2S2/c12-9-5-7(1-3-10(9)13)15-19(16,17)11-4-2-8(6-14)18-11/h1-5,15H.
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide?
N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide has a molecular weight of 316.77 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide is sourced from PubChem (CID 106267208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).