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

C13H11BrClNO3S — CID 104724699

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxybenzenesulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2cccc(O)c2)cc1Cl
InChIInChI=1S/C13H11BrClNO3S/c1-8-5-11(14)13(7-12(8)15)16-20(18,19)10-4-2-3-9(17)6-10/h2-7,16-17H,1H3
InChIKeyGXEFHVNROBYRNN-UHFFFAOYSA-N
MW376.66 g/mol
LogP3.92
Rot. Bonds3

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

N-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxybenzenesulfonamide (PubChem CID 104724699) has the molecular formula C13H11BrClNO3S and a molecular weight of 376.66 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxybenzenesulfonamide
PubChem CID104724699
Molecular FormulaC13H11BrClNO3S
Molecular Weight376.66 g/mol
Exact Mass374.93
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxybenzenesulfonamide
SMILESCc1cc(Br)c(NS(=O)(=O)c2cccc(O)c2)cc1Cl
InChIInChI=1S/C13H11BrClNO3S/c1-8-5-11(14)13(7-12(8)15)16-20(18,19)10-4-2-3-9(17)6-10/h2-7,16-17H,1H3
InChIKeyGXEFHVNROBYRNN-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

N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 113443382
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 104724305
N-(4-bromo-2,3-dichlorophenyl)-3-hydroxybenzenesulfonamide
CID 107791874
N-(2,4-dibromo-5-methoxyphenyl)-3-hydroxybenzenesulfonamide
CID 103416212
3-bromo-4-chloro-N-(4-hydroxy-2-methylphenyl)benzenesulfonamide
CID 106606177
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzenesulfonamide
CID 104814612
N-(2-chloro-4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 64787368
3-bromo-N-(2-bromo-5-chloro-4-methylphenyl)thiophene-2-sulfonamide
CID 113445600
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400255
3-hydroxy-N-methylbenzenesulfonamide
CID 20621554
N-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide
CID 47308881
3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 134247443

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxybenzenesulfonamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxybenzenesulfonamide (CID 104724699) is N-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxybenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxybenzenesulfonamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxybenzenesulfonamide is Cc1cc(Br)c(NS(=O)(=O)c2cccc(O)c2)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxybenzenesulfonamide?
The InChIKey is GXEFHVNROBYRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO3S/c1-8-5-11(14)13(7-12(8)15)16-20(18,19)10-4-2-3-9(17)6-10/h2-7,16-17H,1H3.
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxybenzenesulfonamide?
N-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxybenzenesulfonamide 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 N-(2-bromo-5-chloro-4-methylphenyl)-3-hydroxybenzenesulfonamide is sourced from PubChem (CID 104724699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).