2-chloro-N-(4-hydroxy-2-methylphenyl)ethanesulfonamide

C9H12ClNO3S — CID 107652044

IUPAC2-chloro-N-(4-hydroxy-2-methylphenyl)ethanesulfonamide
SMILESCc1cc(O)ccc1NS(=O)(=O)CCCl
InChIInChI=1S/C9H12ClNO3S/c1-7-6-8(12)2-3-9(7)11-15(13,14)5-4-10/h2-3,6,11-12H,4-5H2,1H3
InChIKeyKUYWHYJWJFUNPY-UHFFFAOYSA-N
MW249.72 g/mol
LogP1.68
Rot. Bonds4

About 2-chloro-N-(4-hydroxy-2-methylphenyl)ethanesulfonamide

2-chloro-N-(4-hydroxy-2-methylphenyl)ethanesulfonamide (PubChem CID 107652044) has the molecular formula C9H12ClNO3S and a molecular weight of 249.72 g/mol. Its IUPAC name is 2-chloro-N-(4-hydroxy-2-methylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-hydroxy-2-methylphenyl)ethanesulfonamide
PubChem CID107652044
Molecular FormulaC9H12ClNO3S
Molecular Weight249.72 g/mol
Exact Mass249.02
IUPAC Name2-chloro-N-(4-hydroxy-2-methylphenyl)ethanesulfonamide
SMILESCc1cc(O)ccc1NS(=O)(=O)CCCl
InChIInChI=1S/C9H12ClNO3S/c1-7-6-8(12)2-3-9(7)11-15(13,14)5-4-10/h2-3,6,11-12H,4-5H2,1H3
InChIKeyKUYWHYJWJFUNPY-UHFFFAOYSA-N
XLogP1.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-Amino-m-cresol
CID 17819
N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide
CID 747919
4-Amino-3-ethylphenol
CID 13666933
4-Amino-M-cresol hydrochloride
CID 459234
N-(4-hydroxyphenyl)ethanesulfonamide
CID 4483155
trifluoro-N-(4-hydroxy-2-methylphenyl)meth-anesulfonamide
CID 129756296
N-(4-hydroxy-2,3-dimethylphenyl)methanesul-fonamide
CID 5230005
N-(4-hydroxy-2-methylphenyl)methanesulfonamide
CID 6459053
N-(4-hydroxy-3-methylphenyl)but-3-ene-1-sulfonamide
CID 75446262
N-[4-hydroxy-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 22890935
N-(4-Hydroxy-2-(trifluoromethyl)phenyl)methanesulfonamide
CID 22890938
N-(3-fluoro-4-hydroxyphenyl)-1-phenylmethanesulfonamide
CID 64781669

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-hydroxy-2-methylphenyl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(4-hydroxy-2-methylphenyl)ethanesulfonamide (CID 107652044) is 2-chloro-N-(4-hydroxy-2-methylphenyl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-hydroxy-2-methylphenyl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(4-hydroxy-2-methylphenyl)ethanesulfonamide is Cc1cc(O)ccc1NS(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-(4-hydroxy-2-methylphenyl)ethanesulfonamide?
The InChIKey is KUYWHYJWJFUNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3S/c1-7-6-8(12)2-3-9(7)11-15(13,14)5-4-10/h2-3,6,11-12H,4-5H2,1H3.
What are the key properties of 2-chloro-N-(4-hydroxy-2-methylphenyl)ethanesulfonamide?
2-chloro-N-(4-hydroxy-2-methylphenyl)ethanesulfonamide has a molecular weight of 249.72 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-hydroxy-2-methylphenyl)ethanesulfonamide is sourced from PubChem (CID 107652044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).