4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide

C14H21NO4S — CID 103731031

IUPAC4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCCCCO)cc1
InChIInChI=1S/C14H21NO4S/c1-12(17)13-6-8-14(9-7-13)20(18,19)15(2)10-4-3-5-11-16/h6-9,16H,3-5,10-11H2,1-2H3
InChIKeyHKXRKGGXXYBUBR-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.67
Rot. Bonds8

About 4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide

4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide (PubChem CID 103731031) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
PubChem CID103731031
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCCCCO)cc1
InChIInChI=1S/C14H21NO4S/c1-12(17)13-6-8-14(9-7-13)20(18,19)15(2)10-4-3-5-11-16/h6-9,16H,3-5,10-11H2,1-2H3
InChIKeyHKXRKGGXXYBUBR-UHFFFAOYSA-N
XLogP1.67
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-acetyl-N-(5-hydroxypentyl)-N-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

methyl 4-[5-hydroxypentyl(methyl)sulfamoyl]benzoate
CID 107203072
4-[5-hydroxypentyl(methyl)sulfamoyl]benzenecarbothioamide
CID 107199767
4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107200603
N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 11287998
3-[5-hydroxypentyl(methyl)sulfamoyl]benzoic acid
CID 104651414
2-[4-[(4-acetylphenyl)sulfonyl-methylamino]butanoylamino]acetic acid
CID 119349970
4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 115776811
3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide
CID 107197609
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(2-amino-2-methylpropyl)butanamide
CID 119629209
4-[2-hydroxyethyl(methyl)sulfamoyl]benzenecarbothioamide
CID 54879331
4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide
CID 18121131
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide
CID 40695620

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide (CID 103731031) is 4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N(C)CCCCCO)cc1.
What is the InChIKey of 4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide?
The InChIKey is HKXRKGGXXYBUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-12(17)13-6-8-14(9-7-13)20(18,19)15(2)10-4-3-5-11-16/h6-9,16H,3-5,10-11H2,1-2H3.
What are the key properties of 4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide?
4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 103731031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).