N-(2-hydroxybutyl)-3-methylbenzenesulfonamide

C11H17NO3S — CID 5018849

IUPACN-(2-hydroxybutyl)-3-methylbenzenesulfonamide
SMILESCCC(O)CNS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C11H17NO3S/c1-3-10(13)8-12-16(14,15)11-6-4-5-9(2)7-11/h4-7,10,12-13H,3,8H2,1-2H3
InChIKeyOAKUVFYNABYDAN-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.04
Rot. Bonds5

About N-(2-hydroxybutyl)-3-methylbenzenesulfonamide

N-(2-hydroxybutyl)-3-methylbenzenesulfonamide (PubChem CID 5018849) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(2-hydroxybutyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxybutyl)-3-methylbenzenesulfonamide
PubChem CID5018849
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-(2-hydroxybutyl)-3-methylbenzenesulfonamide
SMILESCCC(O)CNS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C11H17NO3S/c1-3-10(13)8-12-16(14,15)11-6-4-5-9(2)7-11/h4-7,10,12-13H,3,8H2,1-2H3
InChIKeyOAKUVFYNABYDAN-UHFFFAOYSA-N
XLogP1.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloropropyl)-3-methylbenzenesulfonamide
CID 65033837
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide
CID 95367209
N-(2-cyanopropyl)-3-methylbenzenesulfonamide
CID 62651128
5-(2-hydroxybutylsulfamoyl)-2-methylbenzoic acid
CID 113491967
N-butan-2-yl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112990843
N-[(2S)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 69369504
N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 69369500
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3-methylbenzenesulfonamide
CID 90581543
3-methyl-N-(2-oxopropyl)benzenesulfonamide
CID 64994475
N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
CID 113496241
N-(2-hydroxypentyl)-3-nitrobenzenesulfonamide
CID 104626179
N-[(2,6-difluorophenyl)methyl]-3-methylbenzenesulfonamide
CID 3680647

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxybutyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxybutyl)-3-methylbenzenesulfonamide (CID 5018849) is N-(2-hydroxybutyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxybutyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxybutyl)-3-methylbenzenesulfonamide is CCC(O)CNS(=O)(=O)c1cccc(C)c1.
What is the InChIKey of N-(2-hydroxybutyl)-3-methylbenzenesulfonamide?
The InChIKey is OAKUVFYNABYDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-3-10(13)8-12-16(14,15)11-6-4-5-9(2)7-11/h4-7,10,12-13H,3,8H2,1-2H3.
What are the key properties of N-(2-hydroxybutyl)-3-methylbenzenesulfonamide?
N-(2-hydroxybutyl)-3-methylbenzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxybutyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 5018849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).