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

C13H10BrClFNO2S — CID 97455698

IUPAC4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Br)cc2F)ccc1Cl
InChIInChI=1S/C13H10BrClFNO2S/c1-8-6-10(3-4-11(8)15)17-20(18,19)13-5-2-9(14)7-12(13)16/h2-7,17H,1H3
InChIKeyVSICNAQYXYAEPO-UHFFFAOYSA-N
MW378.65 g/mol
LogP4.35
Rot. Bonds3

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

4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide (PubChem CID 97455698) has the molecular formula C13H10BrClFNO2S and a molecular weight of 378.65 g/mol. Its IUPAC name is 4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide
PubChem CID97455698
Molecular FormulaC13H10BrClFNO2S
Molecular Weight378.65 g/mol
Exact Mass376.93
IUPAC Name4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Br)cc2F)ccc1Cl
InChIInChI=1S/C13H10BrClFNO2S/c1-8-6-10(3-4-11(8)15)17-20(18,19)13-5-2-9(14)7-12(13)16/h2-7,17H,1H3
InChIKeyVSICNAQYXYAEPO-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

4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide
CID 116527675
4-bromo-2-fluoro-N-(3-iodo-4-methylphenyl)benzenesulfonamide
CID 116528398
4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide
CID 116527677
4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 116528770
4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 116528754
4-bromo-N-(2,5-difluoro-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 103587129
4-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide
CID 116528159
4-bromo-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 53240323
4-bromo-N-(5-chloro-2-fluorophenyl)-2-fluorobenzenesulfonamide
CID 116528139
N-(1-benzothiophen-5-yl)-4-bromo-2-fluorobenzenesulfonamide
CID 116528371
N-(4-bromo-3-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610699
4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794050

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide (CID 97455698) is 4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(Br)cc2F)ccc1Cl.
What is the InChIKey of 4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is VSICNAQYXYAEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO2S/c1-8-6-10(3-4-11(8)15)17-20(18,19)13-5-2-9(14)7-12(13)16/h2-7,17H,1H3.
What are the key properties of 4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide?
4-bromo-N-(4-chloro-3-methylphenyl)-2-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 4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 97455698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).