2-(2-hydroxyethyl)-4-methylbenzenesulfonamide

C9H13NO3S — CID 67168218

IUPAC2-(2-hydroxyethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(CCO)c1
InChIInChI=1S/C9H13NO3S/c1-7-2-3-9(14(10,12)13)8(6-7)4-5-11/h2-3,6,11H,4-5H2,1H3,(H2,10,12,13)
InChIKeyLTDCHKFYPYBESP-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.18
Rot. Bonds3

About 2-(2-hydroxyethyl)-4-methylbenzenesulfonamide

2-(2-hydroxyethyl)-4-methylbenzenesulfonamide (PubChem CID 67168218) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-4-methylbenzenesulfonamide
PubChem CID67168218
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name2-(2-hydroxyethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(CCO)c1
InChIInChI=1S/C9H13NO3S/c1-7-2-3-9(14(10,12)13)8(6-7)4-5-11/h2-3,6,11H,4-5H2,1H3,(H2,10,12,13)
InChIKeyLTDCHKFYPYBESP-UHFFFAOYSA-N
XLogP0.18
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-hydroxyethyl)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-but-3-enyl-4-methylbenzenesulfonamide
CID 175817922
2-[2-(methanesulfonamido)ethyl]-4-methylbenzenesulfonamide
CID 67901778
2-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylbenzenesulfonamide
CID 175985871
2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 175985841
2-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 175803772
[2-[2-(hydroxymethyl)-4-methylphenyl]sulfonyl-5-methylphenyl]methanol
CID 54465943
4-methyl-2-(methylamino)benzenesulfonamide
CID 20558501
5-(2-hydroxyethyl)-2-methylbenzene-1,3-disulfonamide
CID 67168985
[4-methyl-2-[2-(5-methyl-2-oxidosulfonothioylphenyl)ethyl]phenyl]-oxido-oxo-sulfanylidene-λ6-sulfane
CID 21115364
2-(2-hydroxyethyl)-5-methyl-3-sulfamoylbenzenesulfonic acid
CID 87293925
(4-methylphenyl) 2-(2-sulfamoylphenyl)acetate
CID 118318708
2-(2-hydroxyethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 140565047

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-(2-hydroxyethyl)-4-methylbenzenesulfonamide (CID 67168218) is 2-(2-hydroxyethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-(2-hydroxyethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)c(CCO)c1.
What is the InChIKey of 2-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
The InChIKey is LTDCHKFYPYBESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-7-2-3-9(14(10,12)13)8(6-7)4-5-11/h2-3,6,11H,4-5H2,1H3,(H2,10,12,13).
What are the key properties of 2-(2-hydroxyethyl)-4-methylbenzenesulfonamide?
2-(2-hydroxyethyl)-4-methylbenzenesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 67168218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).