[3-bromo-4-(2-chloro-4-fluorobenzoyl)phenyl]methanesulfonamide

C14H10BrClFNO3S — CID 146240597

IUPAC[3-bromo-4-(2-chloro-4-fluorobenzoyl)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(C(=O)c2ccc(F)cc2Cl)c(Br)c1
InChIInChI=1S/C14H10BrClFNO3S/c15-12-5-8(7-22(18,20)21)1-3-10(12)14(19)11-4-2-9(17)6-13(11)16/h1-6H,7H2,(H2,18,20,21)
InChIKeyVYSDBGUFVITLNH-UHFFFAOYSA-N
MW406.66 g/mol
LogP3.26
Rot. Bonds4

About [3-bromo-4-(2-chloro-4-fluorobenzoyl)phenyl]methanesulfonamide

[3-bromo-4-(2-chloro-4-fluorobenzoyl)phenyl]methanesulfonamide (PubChem CID 146240597) has the molecular formula C14H10BrClFNO3S and a molecular weight of 406.66 g/mol. Its IUPAC name is [3-bromo-4-(2-chloro-4-fluorobenzoyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name[3-bromo-4-(2-chloro-4-fluorobenzoyl)phenyl]methanesulfonamide
PubChem CID146240597
Molecular FormulaC14H10BrClFNO3S
Molecular Weight406.66 g/mol
Exact Mass404.92
IUPAC Name[3-bromo-4-(2-chloro-4-fluorobenzoyl)phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(C(=O)c2ccc(F)cc2Cl)c(Br)c1
InChIInChI=1S/C14H10BrClFNO3S/c15-12-5-8(7-22(18,20)21)1-3-10(12)14(19)11-4-2-9(17)6-13(11)16/h1-6H,7H2,(H2,18,20,21)
InChIKeyVYSDBGUFVITLNH-UHFFFAOYSA-N
XLogP3.26
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.66
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-bromo-4-(2-chloro-4-methylbenzoyl)phenyl]methanesulfonamide
CID 146252089
[2-bromo-4-(ethylsulfanylmethyl)phenyl]-(2-chloro-4-fluorophenyl)methanone;ethane
CID 142346523
[2-bromo-4-(bromomethyl)phenyl]-(2,4-dichlorophenyl)methanone
CID 146240510
[2-bromo-4-[[cyclopropyl(methyl)amino]sulfanyloxymethyl]phenyl]-(2-chloro-4-fluorophenyl)methanone
CID 146252183
(2-chloro-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 43344961
(4-fluorophenyl)methanesulfonamide
CID 16785078
(2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone
CID 43160008
4-[2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 56511078
(2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone
CID 105394203
(2-bromo-5-fluorophenyl)-(2-chlorophenyl)methanone
CID 114963342
(2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338130
(2,4-dichlorophenyl)-(2,4-difluorophenyl)methanone
CID 43159987

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(2-chloro-4-fluorobenzoyl)phenyl]methanesulfonamide?
The IUPAC name of [3-bromo-4-(2-chloro-4-fluorobenzoyl)phenyl]methanesulfonamide (CID 146240597) is [3-bromo-4-(2-chloro-4-fluorobenzoyl)phenyl]methanesulfonamide.
What is the SMILES notation for [3-bromo-4-(2-chloro-4-fluorobenzoyl)phenyl]methanesulfonamide?
The canonical SMILES for [3-bromo-4-(2-chloro-4-fluorobenzoyl)phenyl]methanesulfonamide is NS(=O)(=O)Cc1ccc(C(=O)c2ccc(F)cc2Cl)c(Br)c1.
What is the InChIKey of [3-bromo-4-(2-chloro-4-fluorobenzoyl)phenyl]methanesulfonamide?
The InChIKey is VYSDBGUFVITLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO3S/c15-12-5-8(7-22(18,20)21)1-3-10(12)14(19)11-4-2-9(17)6-13(11)16/h1-6H,7H2,(H2,18,20,21).
What are the key properties of [3-bromo-4-(2-chloro-4-fluorobenzoyl)phenyl]methanesulfonamide?
[3-bromo-4-(2-chloro-4-fluorobenzoyl)phenyl]methanesulfonamide has a molecular weight of 406.66 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(2-chloro-4-fluorobenzoyl)phenyl]methanesulfonamide is sourced from PubChem (CID 146240597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).