N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide

C13H10BrClFNO2S — CID 115610699

IUPACN-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(F)ccc2Cl)ccc1Br
InChIInChI=1S/C13H10BrClFNO2S/c1-8-6-10(3-4-11(8)14)17-20(18,19)13-7-9(16)2-5-12(13)15/h2-7,17H,1H3
InChIKeyHIXLAUBQCNGZIJ-UHFFFAOYSA-N
MW378.65 g/mol
LogP4.35
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide

N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 115610699) has the molecular formula C13H10BrClFNO2S and a molecular weight of 378.65 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
PubChem CID115610699
Molecular FormulaC13H10BrClFNO2S
Molecular Weight378.65 g/mol
Exact Mass376.93
IUPAC NameN-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(F)ccc2Cl)ccc1Br
InChIInChI=1S/C13H10BrClFNO2S/c1-8-6-10(3-4-11(8)14)17-20(18,19)13-7-9(16)2-5-12(13)15/h2-7,17H,1H3
InChIKeyHIXLAUBQCNGZIJ-UHFFFAOYSA-N
XLogP4.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.65
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610706
N-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115649180
N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399595
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400255
N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610711
2-chloro-5-fluoro-N-phenylbenzenesulfonamide
CID 115610692
2-bromo-4-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811743
N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 9234950
N-(4-bromo-3-methylphenyl)-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126414226
2-chloro-5-fluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 113259716
4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 97455698
5-amino-N-(4-bromo-3-methylphenyl)-2,3-difluorobenzenesulfonamide
CID 65022933

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide (CID 115610699) is N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(F)ccc2Cl)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is HIXLAUBQCNGZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO2S/c1-8-6-10(3-4-11(8)14)17-20(18,19)13-7-9(16)2-5-12(13)15/h2-7,17H,1H3.
What are the key properties of N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide?
N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide has a molecular weight of 378.65 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 115610699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).