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

C13H11Cl2NO3S — CID 7303998

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

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

2,5-dichloro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide (PubChem CID 7303998) has the molecular formula C13H11Cl2NO3S and a molecular weight of 332.21 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
PubChem CID7303998
Molecular FormulaC13H11Cl2NO3S
Molecular Weight332.21 g/mol
Exact Mass330.98
IUPAC Name2,5-dichloro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(O)c1
InChIInChI=1S/C13H11Cl2NO3S/c1-8-2-5-11(12(17)6-8)16-20(18,19)13-7-9(14)3-4-10(13)15/h2-7,16-17H,1H3
InChIKeyPIPQYWFQACGJEB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-3-fluoro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 103088377
2-chloro-N-(4-chloro-2-hydroxyphenyl)-5-cyanobenzenesulfonamide
CID 81422590
2,5-dichloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 7303996
N-(2-amino-4-hydroxyphenyl)-2,5-dichlorobenzenesulfonamide
CID 107697838
N-(4-chloro-2-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 81433189
N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
CID 81273911
methyl 5-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 122187079
2,5-dichloro-N-[3-[(2,5-dichlorophenyl)sulfonylamino]-4-methylphenyl]benzenesulfonamide
CID 4199762
4-chloro-N-(2-hydroxy-4-methylphenyl)-3-nitrobenzenesulfonamide
CID 75401780
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
N'-(2,5-dichlorophenyl)sulfonyl-2,5-dimethylbenzenesulfonohydrazide
CID 8523597

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide (CID 7303998) is 2,5-dichloro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(O)c1.
What is the InChIKey of 2,5-dichloro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide?
The InChIKey is PIPQYWFQACGJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3S/c1-8-2-5-11(12(17)6-8)16-20(18,19)13-7-9(14)3-4-10(13)15/h2-7,16-17H,1H3.
What are the key properties of 2,5-dichloro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide?
2,5-dichloro-N-(2-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-(2-hydroxy-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 7303998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).