4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide

C9H12ClNO3S — CID 25049689

IUPAC4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCO)ccc1Cl
InChIInChI=1S/C9H12ClNO3S/c1-7-6-8(2-3-9(7)10)15(13,14)11-4-5-12/h2-3,6,11-12H,4-5H2,1H3
InChIKeyHRCUKLAGWUFJJH-UHFFFAOYSA-N
MW249.72 g/mol
LogP0.92
Rot. Bonds4

About 4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide

4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide (PubChem CID 25049689) has the molecular formula C9H12ClNO3S and a molecular weight of 249.72 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
PubChem CID25049689
Molecular FormulaC9H12ClNO3S
Molecular Weight249.72 g/mol
Exact Mass249.02
IUPAC Name4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCO)ccc1Cl
InChIInChI=1S/C9H12ClNO3S/c1-7-6-8(2-3-9(7)10)15(13,14)11-4-5-12/h2-3,6,11-12H,4-5H2,1H3
InChIKeyHRCUKLAGWUFJJH-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 113098372
4-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113102776
4-chloro-N-(cyanomethyl)-3-methylbenzenesulfonamide
CID 82294521
N-[4-(2-hydroxyethylsulfamoyl)-2-methylphenyl]acetamide
CID 58962606
N-(4-acetamidophenyl)-2-[(4-chloro-3-methylphenyl)sulfonylamino]acetamide
CID 112999779
4-chloro-N,3-dimethylbenzenesulfonamide
CID 50876568
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[3-(dimethylamino)propyl]acetamide
CID 112991642
4-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 112990867
4-chloro-3-methylbenzenesulfonohydrazide
CID 82079936
4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113099484
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 112992700

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide (CID 25049689) is 4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCCO)ccc1Cl.
What is the InChIKey of 4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide?
The InChIKey is HRCUKLAGWUFJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3S/c1-7-6-8(2-3-9(7)10)15(13,14)11-4-5-12/h2-3,6,11-12H,4-5H2,1H3.
What are the key properties of 4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide?
4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide has a molecular weight of 249.72 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 25049689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).