N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide

C11H6BrFN2O2S2 — CID 106267209

IUPACN-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2Br)s1
InChIInChI=1S/C11H6BrFN2O2S2/c12-9-5-7(13)1-3-10(9)15-19(16,17)11-4-2-8(6-14)18-11/h1-5,15H
InChIKeyROHPBEBTSOATHE-UHFFFAOYSA-N
MW361.22 g/mol
LogP3.32
Rot. Bonds3

About N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide

N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide (PubChem CID 106267209) has the molecular formula C11H6BrFN2O2S2 and a molecular weight of 361.22 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
PubChem CID106267209
Molecular FormulaC11H6BrFN2O2S2
Molecular Weight361.22 g/mol
Exact Mass359.90
IUPAC NameN-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2Br)s1
InChIInChI=1S/C11H6BrFN2O2S2/c12-9-5-7(13)1-3-10(9)15-19(16,17)11-4-2-8(6-14)18-11/h1-5,15H
InChIKeyROHPBEBTSOATHE-UHFFFAOYSA-N
XLogP3.32
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106265104
N-(2-bromo-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106269382
N-(2-bromo-5-chlorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106268722
N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide
CID 3852570
5-cyano-N-(2-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106272305
N-(3-chloro-5-fluoro-2-hydroxyphenyl)-5-cyanothiophene-2-sulfonamide
CID 106272334
5-cyano-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
CID 106269400
5-cyano-N-(5-fluoro-2-pyridinyl)thiophene-2-sulfonamide
CID 106268431
N-(2-bromo-4-fluorophenyl)-2,4-difluorobenzenesulfonamide
CID 43328562
N-(2-bromo-3-chlorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106269296
5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 106269401
5-cyano-N-(2,4-dimethoxyphenyl)thiophene-2-sulfonamide
CID 106266909

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide (CID 106267209) is N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2Br)s1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide?
The InChIKey is ROHPBEBTSOATHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN2O2S2/c12-9-5-7(13)1-3-10(9)15-19(16,17)11-4-2-8(6-14)18-11/h1-5,15H.
What are the key properties of N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide?
N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide has a molecular weight of 361.22 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide is sourced from PubChem (CID 106267209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).