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

C9H12ClNO3S — CID 60962314

IUPAC2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCN(CCO)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C9H12ClNO3S/c1-11(6-7-12)15(13,14)9-5-3-2-4-8(9)10/h2-5,12H,6-7H2,1H3
InChIKeyBEHYJYJJGLDTFO-UHFFFAOYSA-N
MW249.72 g/mol
LogP0.95
Rot. Bonds4

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

2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide (PubChem CID 60962314) has the molecular formula C9H12ClNO3S and a molecular weight of 249.72 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
PubChem CID60962314
Molecular FormulaC9H12ClNO3S
Molecular Weight249.72 g/mol
Exact Mass249.02
IUPAC Name2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCN(CCO)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C9H12ClNO3S/c1-11(6-7-12)15(13,14)9-5-3-2-4-8(9)10/h2-5,12H,6-7H2,1H3
InChIKeyBEHYJYJJGLDTFO-UHFFFAOYSA-N
XLogP0.95
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957799
5-[(2-chlorophenyl)sulfonyl-methylamino]pentanoic acid
CID 69317552
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387781
4-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoate
CID 7470552
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937774
2-cyano-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60961531
2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577489
2-[(2-chlorophenyl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 78793216
2-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544844
N-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43550518
2-chloro-N-(difluoromethyl)-N-methylbenzenesulfonamide
CID 21284138
2-[(cyclopropylmethylamino)methyl]-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 111122916

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide (CID 60962314) is 2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide is CN(CCO)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is BEHYJYJJGLDTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3S/c1-11(6-7-12)15(13,14)9-5-3-2-4-8(9)10/h2-5,12H,6-7H2,1H3.
What are the key properties of 2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 249.72 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 60962314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).