3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide

C15H23NO4S — CID 90523494

IUPAC3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(O)C(C)(C)C)c1
InChIInChI=1S/C15H23NO4S/c1-11(17)12-6-5-7-13(10-12)21(19,20)16-9-8-14(18)15(2,3)4/h5-7,10,14,16,18H,8-9H2,1-4H3
InChIKeyMKWFKFKESMLAEY-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.96
Rot. Bonds6

About 3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide

3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide (PubChem CID 90523494) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
PubChem CID90523494
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCCC(O)C(C)(C)C)c1
InChIInChI=1S/C15H23NO4S/c1-11(17)12-6-5-7-13(10-12)21(19,20)16-9-8-14(18)15(2,3)4/h5-7,10,14,16,18H,8-9H2,1-4H3
InChIKeyMKWFKFKESMLAEY-UHFFFAOYSA-N
XLogP1.96
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide 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

4-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 90523493
3-acetyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 78966562
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
N-(3-hydroxy-4,4-dimethylpentyl)-3,4-dimethylbenzenesulfonamide
CID 71787611
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553
3-acetyl-N-(3,3-dimethyl-2-oxobutyl)benzenesulfonamide
CID 64994049
3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide
CID 43591526
5-[(3-acetylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 82013121
3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide
CID 78768187
3-acetyl-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 115638737
3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 110787259

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide (CID 90523494) is 3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCCC(O)C(C)(C)C)c1.
What is the InChIKey of 3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide?
The InChIKey is MKWFKFKESMLAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-11(17)12-6-5-7-13(10-12)21(19,20)16-9-8-14(18)15(2,3)4/h5-7,10,14,16,18H,8-9H2,1-4H3.
What are the key properties of 3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide?
3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide is sourced from PubChem (CID 90523494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).