4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide

C13H11BrClNO3S — CID 64794050

IUPAC4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1O
InChIInChI=1S/C13H11BrClNO3S/c1-8-2-4-10(7-12(8)17)16-20(18,19)13-5-3-9(14)6-11(13)15/h2-7,16-17H,1H3
InChIKeyBYRSQXFREONJTF-UHFFFAOYSA-N
MW376.66 g/mol
LogP3.92
Rot. Bonds3

About 4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide

4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide (PubChem CID 64794050) has the molecular formula C13H11BrClNO3S and a molecular weight of 376.66 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
PubChem CID64794050
Molecular FormulaC13H11BrClNO3S
Molecular Weight376.66 g/mol
Exact Mass374.93
IUPAC Name4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1O
InChIInChI=1S/C13H11BrClNO3S/c1-8-2-4-10(7-12(8)17)16-20(18,19)13-5-3-9(14)6-11(13)15/h2-7,16-17H,1H3
InChIKeyBYRSQXFREONJTF-UHFFFAOYSA-N
XLogP3.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.66
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794052
2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 103988582
4-bromo-2-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 61036715
4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35545610
2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 7303996
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 7510419
2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzenesulfonamide
CID 43258121
methyl 4-[(4-bromo-2-chlorophenyl)sulfonylamino]benzoate
CID 7938713
4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide
CID 116527675
4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 97455698
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 63421623

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide (CID 64794050) is 4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1O.
What is the InChIKey of 4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The InChIKey is BYRSQXFREONJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO3S/c1-8-2-4-10(7-12(8)17)16-20(18,19)13-5-3-9(14)6-11(13)15/h2-7,16-17H,1H3.
What are the key properties of 4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide has a molecular weight of 376.66 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 64794050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).