3-(2-aminophenyl)sulfonyl-N-propan-2-ylpropanamide

C12H18N2O3S — CID 62627896

IUPAC3-(2-aminophenyl)sulfonyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCS(=O)(=O)c1ccccc1N
InChIInChI=1S/C12H18N2O3S/c1-9(2)14-12(15)7-8-18(16,17)11-6-4-3-5-10(11)13/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyQOWLBCJTBKLJFA-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.96
Rot. Bonds5

About 3-(2-aminophenyl)sulfonyl-N-propan-2-ylpropanamide

3-(2-aminophenyl)sulfonyl-N-propan-2-ylpropanamide (PubChem CID 62627896) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-(2-aminophenyl)sulfonyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)sulfonyl-N-propan-2-ylpropanamide
PubChem CID62627896
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-(2-aminophenyl)sulfonyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCS(=O)(=O)c1ccccc1N
InChIInChI=1S/C12H18N2O3S/c1-9(2)14-12(15)7-8-18(16,17)11-6-4-3-5-10(11)13/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyQOWLBCJTBKLJFA-UHFFFAOYSA-N
XLogP0.96
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)sulfonyl-N-propan-2-ylpropanamide 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-(2-amino-5-methylphenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81183138
3-(4-amino-2-fluorophenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81192554
4-(2-aminophenyl)sulfonyl-N-methylbutanamide
CID 63889973
2-(2-aminophenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 61368377
3-(3-amino-5-fluorophenyl)sulfonyl-N-propan-2-ylpropanamide
CID 81182771
methyl 2-[3-(benzenesulfonyl)propanoylamino]propanoate
CID 60638125
2-(2-tert-butylsulfonylethylsulfonyl)aniline
CID 106728928
2-(2-aminophenyl)sulfonyl-N-pentan-2-ylpropanamide
CID 61368574
(2R)-2-[3-(benzenesulfonyl)propanoylamino]-3-methylbutanoic acid
CID 79009473
2-dodecylsulfonylaniline
CID 19779074
2-[(3-amino-2-nitrophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 115993428
2-methyl-5-[3-oxo-3-(propan-2-ylamino)propyl]sulfonylbenzoic acid
CID 62625736

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)sulfonyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2-aminophenyl)sulfonyl-N-propan-2-ylpropanamide (CID 62627896) is 3-(2-aminophenyl)sulfonyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2-aminophenyl)sulfonyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2-aminophenyl)sulfonyl-N-propan-2-ylpropanamide is CC(C)NC(=O)CCS(=O)(=O)c1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)sulfonyl-N-propan-2-ylpropanamide?
The InChIKey is QOWLBCJTBKLJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9(2)14-12(15)7-8-18(16,17)11-6-4-3-5-10(11)13/h3-6,9H,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of 3-(2-aminophenyl)sulfonyl-N-propan-2-ylpropanamide?
3-(2-aminophenyl)sulfonyl-N-propan-2-ylpropanamide has a molecular weight of 270.35 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)sulfonyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 62627896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).