N-(2-bromo-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide

C11H5BrClFN2O2S2 — CID 106269382

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2c(Cl)cc(F)cc2Br)s1
InChIInChI=1S/C11H5BrClFN2O2S2/c12-8-3-6(14)4-9(13)11(8)16-20(17,18)10-2-1-7(5-15)19-10/h1-4,16H
InChIKeyAJEUWXPDKJHCBI-UHFFFAOYSA-N
MW395.66 g/mol
LogP3.98
Rot. Bonds3

About N-(2-bromo-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide

N-(2-bromo-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide (PubChem CID 106269382) has the molecular formula C11H5BrClFN2O2S2 and a molecular weight of 395.66 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
PubChem CID106269382
Molecular FormulaC11H5BrClFN2O2S2
Molecular Weight395.66 g/mol
Exact Mass393.86
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2c(Cl)cc(F)cc2Br)s1
InChIInChI=1S/C11H5BrClFN2O2S2/c12-8-3-6(14)4-9(13)11(8)16-20(17,18)10-2-1-7(5-15)19-10/h1-4,16H
InChIKeyAJEUWXPDKJHCBI-UHFFFAOYSA-N
XLogP3.98
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.66
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267209
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
N-(2-bromo-5-chlorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106268722
N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267208
2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922632
N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 104922640
N-(2-bromo-3-chlorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106269296
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922663
N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 104922677
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 107613420
N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyanomethanesulfonamide
CID 107612174

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide (CID 106269382) is N-(2-bromo-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide is N#Cc1ccc(S(=O)(=O)Nc2c(Cl)cc(F)cc2Br)s1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide?
The InChIKey is AJEUWXPDKJHCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClFN2O2S2/c12-8-3-6(14)4-9(13)11(8)16-20(17,18)10-2-1-7(5-15)19-10/h1-4,16H.
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide has a molecular weight of 395.66 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide is sourced from PubChem (CID 106269382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).