N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyanomethanesulfonamide

C8H5BrClFN2O2S — CID 107612174

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-1-cyanomethanesulfonamide
SMILESN#CCS(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C8H5BrClFN2O2S/c9-6-3-5(11)4-7(10)8(6)13-16(14,15)2-1-12/h3-4,13H,2H2
InChIKeyPHPNEBYMVBOABE-UHFFFAOYSA-N
MW327.56 g/mol
LogP2.51
Rot. Bonds3

About N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyanomethanesulfonamide

N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyanomethanesulfonamide (PubChem CID 107612174) has the molecular formula C8H5BrClFN2O2S and a molecular weight of 327.56 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyanomethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-1-cyanomethanesulfonamide
PubChem CID107612174
Molecular FormulaC8H5BrClFN2O2S
Molecular Weight327.56 g/mol
Exact Mass325.89
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-1-cyanomethanesulfonamide
SMILESN#CCS(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C8H5BrClFN2O2S/c9-6-3-5(11)4-7(10)8(6)13-16(14,15)2-1-12/h3-4,13H,2H2
InChIKeyPHPNEBYMVBOABE-UHFFFAOYSA-N
XLogP2.51
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.56
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-6-chloro-4-fluorophenyl)butane-1-sulfonamide
CID 107095513
N-(2-bromo-6-chloro-4-fluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106087709
N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyclohexylmethanesulfonamide
CID 107612698
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-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106269382
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 107613420
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922663
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(cyanomethyl)acetamide
CID 113341656
3-(2-bromo-6-chloro-4-fluoroanilino)-3-phenylpropanenitrile
CID 107611520
N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 104922677
4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107608927

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyanomethanesulfonamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyanomethanesulfonamide (CID 107612174) is N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyanomethanesulfonamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyanomethanesulfonamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyanomethanesulfonamide is N#CCS(=O)(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyanomethanesulfonamide?
The InChIKey is PHPNEBYMVBOABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClFN2O2S/c9-6-3-5(11)4-7(10)8(6)13-16(14,15)2-1-12/h3-4,13H,2H2.
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyanomethanesulfonamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyanomethanesulfonamide has a molecular weight of 327.56 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyanomethanesulfonamide is sourced from PubChem (CID 107612174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).