3-acetyl-N-(2-methylpropoxy)benzenesulfonamide

C12H17NO4S — CID 82715915

IUPAC3-acetyl-N-(2-methylpropoxy)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NOCC(C)C)c1
InChIInChI=1S/C12H17NO4S/c1-9(2)8-17-13-18(15,16)12-6-4-5-11(7-12)10(3)14/h4-7,9,13H,8H2,1-3H3
InChIKeyHPQNPOIMBSQXSC-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.76
Rot. Bonds6

About 3-acetyl-N-(2-methylpropoxy)benzenesulfonamide

3-acetyl-N-(2-methylpropoxy)benzenesulfonamide (PubChem CID 82715915) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-acetyl-N-(2-methylpropoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(2-methylpropoxy)benzenesulfonamide
PubChem CID82715915
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name3-acetyl-N-(2-methylpropoxy)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NOCC(C)C)c1
InChIInChI=1S/C12H17NO4S/c1-9(2)8-17-13-18(15,16)12-6-4-5-11(7-12)10(3)14/h4-7,9,13H,8H2,1-3H3
InChIKeyHPQNPOIMBSQXSC-UHFFFAOYSA-N
XLogP1.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-acetyl-N-(2-methylpropoxy)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

3-acetyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 78966562
3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 17435348
3-acetyl-N-(2,2-diethoxyethyl)benzenesulfonamide
CID 78907733
(2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid
CID 29049479
N-[4-(2-methylpropoxysulfamoyl)phenyl]acetamide
CID 82716009
3-acetyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 62732947
(2R)-2-[(3-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29276801
3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272373
3-acetyl-N-[(1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzenesulfonamide
CID 51940607
5-[(3-acetylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 82013121
3-[(3-acetylphenyl)sulfonylamino]-N-(5-methylhexan-2-yl)propanamide
CID 78768187
2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 43080124

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(2-methylpropoxy)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(2-methylpropoxy)benzenesulfonamide (CID 82715915) is 3-acetyl-N-(2-methylpropoxy)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(2-methylpropoxy)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(2-methylpropoxy)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NOCC(C)C)c1.
What is the InChIKey of 3-acetyl-N-(2-methylpropoxy)benzenesulfonamide?
The InChIKey is HPQNPOIMBSQXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-9(2)8-17-13-18(15,16)12-6-4-5-11(7-12)10(3)14/h4-7,9,13H,8H2,1-3H3.
What are the key properties of 3-acetyl-N-(2-methylpropoxy)benzenesulfonamide?
3-acetyl-N-(2-methylpropoxy)benzenesulfonamide has a molecular weight of 271.34 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(2-methylpropoxy)benzenesulfonamide is sourced from PubChem (CID 82715915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).