4-chloro-N-hydroxy-N-(4-methylphenyl)benzenesulfonamide

C13H12ClNO3S — CID 2313101

IUPAC4-chloro-N-hydroxy-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(O)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H12ClNO3S/c1-10-2-6-12(7-3-10)15(16)19(17,18)13-8-4-11(14)5-9-13/h2-9,16H,1H3
InChIKeyMACBVJGCBJBPLS-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.23
Rot. Bonds3

About 4-chloro-N-hydroxy-N-(4-methylphenyl)benzenesulfonamide

4-chloro-N-hydroxy-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 2313101) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is 4-chloro-N-hydroxy-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-hydroxy-N-(4-methylphenyl)benzenesulfonamide
PubChem CID2313101
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC Name4-chloro-N-hydroxy-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(O)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H12ClNO3S/c1-10-2-6-12(7-3-10)15(16)19(17,18)13-8-4-11(14)5-9-13/h2-9,16H,1H3
InChIKeyMACBVJGCBJBPLS-UHFFFAOYSA-N
XLogP3.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-pyridinyl)-N-hydroxy-4-methylbenzenesulfonamide
CID 50889190
N-[(4-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3959248
N-(4-chlorophenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345333
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetate
CID 50889833
(4-chlorophenyl)-methyl-[methyl-(4-methylphenyl)sulfonylamino]sulfanium
CID 3530628
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1338759
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
1-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)sulfonylguanidine
CID 4004216
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 94020245
N'-(4-chlorophenyl)-N-(4-methoxyphenyl)-N-(4-methylphenyl)sulfonylethanimidamide
CID 14640908
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide
CID 2271136

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-hydroxy-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-hydroxy-N-(4-methylphenyl)benzenesulfonamide (CID 2313101) is 4-chloro-N-hydroxy-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-hydroxy-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-hydroxy-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(N(O)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-hydroxy-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is MACBVJGCBJBPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c1-10-2-6-12(7-3-10)15(16)19(17,18)13-8-4-11(14)5-9-13/h2-9,16H,1H3.
What are the key properties of 4-chloro-N-hydroxy-N-(4-methylphenyl)benzenesulfonamide?
4-chloro-N-hydroxy-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 297.76 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-hydroxy-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 2313101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).