N-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide

C13H21NO3S — CID 103835403

IUPACN-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide
SMILESCCCC(C)(O)CNS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C13H21NO3S/c1-4-8-13(3,15)10-14-18(16,17)12-7-5-6-11(2)9-12/h5-7,9,14-15H,4,8,10H2,1-3H3
InChIKeyBGRGWMJDYPIESR-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.82
Rot. Bonds6

About N-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide

N-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide (PubChem CID 103835403) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide
PubChem CID103835403
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide
SMILESCCCC(C)(O)CNS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C13H21NO3S/c1-4-8-13(3,15)10-14-18(16,17)12-7-5-6-11(2)9-12/h5-7,9,14-15H,4,8,10H2,1-3H3
InChIKeyBGRGWMJDYPIESR-UHFFFAOYSA-N
XLogP1.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxy-2-methylpentyl)-3-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

N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylbenzenesulfonamide
CID 103835067
3-hydroxy-3-methyl-4-[(3-methylphenyl)sulfonylamino]butanoic acid
CID 66001569
4-cyano-N-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide
CID 106833366
N-(5-amino-2,2-dimethylpentyl)-3-methylbenzenesulfonamide
CID 106141735
N-[2-(aminomethyl)-2-ethylbutyl]-3-methylbenzenesulfonamide
CID 106251096
3-chloro-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzenesulfonamide
CID 103835335
4-amino-N-(2-hydroxy-2-methylpentyl)-3-methoxybenzenesulfonamide
CID 106289688
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-methylbenzenesulfonamide
CID 71788797
N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-methylbenzenesulfonamide
CID 95379479
3-methyl-N-(2-oxopropyl)benzenesulfonamide
CID 64994475
N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide
CID 90498566
N-(2-hydroxybutyl)-3-methylbenzenesulfonamide
CID 5018849

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide (CID 103835403) is N-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide is CCCC(C)(O)CNS(=O)(=O)c1cccc(C)c1.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide?
The InChIKey is BGRGWMJDYPIESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-4-8-13(3,15)10-14-18(16,17)12-7-5-6-11(2)9-12/h5-7,9,14-15H,4,8,10H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide?
N-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 103835403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).