2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide

C13H11Cl2NO3S — CID 7303996

IUPAC2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1O
InChIInChI=1S/C13H11Cl2NO3S/c1-8-2-4-10(7-12(8)17)16-20(18,19)13-6-9(14)3-5-11(13)15/h2-7,16-17H,1H3
InChIKeyBLYOOWUUCLQDEH-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.81
Rot. Bonds3

About 2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide

2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide (PubChem CID 7303996) has the molecular formula C13H11Cl2NO3S and a molecular weight of 332.21 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
PubChem CID7303996
Molecular FormulaC13H11Cl2NO3S
Molecular Weight332.21 g/mol
Exact Mass330.98
IUPAC Name2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1O
InChIInChI=1S/C13H11Cl2NO3S/c1-8-2-4-10(7-12(8)17)16-20(18,19)13-6-9(14)3-5-11(13)15/h2-7,16-17H,1H3
InChIKeyBLYOOWUUCLQDEH-UHFFFAOYSA-N
XLogP3.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide
CID 4199762
4-bromo-2-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794050
methyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 40715475
2-chloro-4-cyano-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 103988582
2,5-dichloro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 7303998
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126388299
4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
CID 776763
2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 989106
5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4826414
2,5-dichloro-N-(2-methylquinolin-6-yl)benzenesulfonamide
CID 11280072
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 1266797

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide (CID 7303996) is 2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1O.
What is the InChIKey of 2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
The InChIKey is BLYOOWUUCLQDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3S/c1-8-2-4-10(7-12(8)17)16-20(18,19)13-6-9(14)3-5-11(13)15/h2-7,16-17H,1H3.
What are the key properties of 2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide?
2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide has a molecular weight of 332.21 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 7303996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).