3-(3-aminophenyl)sulfonyl-N-methylpropanamide

C10H14N2O3S — CID 81180826

IUPAC3-(3-aminophenyl)sulfonyl-N-methylpropanamide
SMILESCNC(=O)CCS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C10H14N2O3S/c1-12-10(13)5-6-16(14,15)9-4-2-3-8(11)7-9/h2-4,7H,5-6,11H2,1H3,(H,12,13)
InChIKeyRWEMKZJAQWAWRT-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.18
Rot. Bonds4

About 3-(3-aminophenyl)sulfonyl-N-methylpropanamide

3-(3-aminophenyl)sulfonyl-N-methylpropanamide (PubChem CID 81180826) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-(3-aminophenyl)sulfonyl-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)sulfonyl-N-methylpropanamide
PubChem CID81180826
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name3-(3-aminophenyl)sulfonyl-N-methylpropanamide
SMILESCNC(=O)CCS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C10H14N2O3S/c1-12-10(13)5-6-16(14,15)9-4-2-3-8(11)7-9/h2-4,7H,5-6,11H2,1H3,(H,12,13)
InChIKeyRWEMKZJAQWAWRT-UHFFFAOYSA-N
XLogP0.18
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenyl)sulfonylpropanamide
CID 81180746
3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide
CID 81181099
3-(2-ethylsulfonylethylsulfonyl)aniline
CID 81180203
4-(3-aminophenyl)sulfonyl-N,N-dimethylbutanamide
CID 81180754
2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374811
3-(3-methylsulfonylpropylsulfonyl)aniline
CID 81181376
4-(3-aminophenyl)-4-hydroxy-N-methylbutanamide
CID 82113079
2-(3-aminophenyl)sulfonyl-N,2-dimethylpropanamide
CID 118665805
4-(4-amino-2-methylphenyl)sulfonyl-N-methylbutanamide
CID 81192660
3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide
CID 62325164
3-[2-(trifluoromethoxy)ethylsulfonyl]aniline
CID 81180478
N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110423914

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)sulfonyl-N-methylpropanamide?
The IUPAC name of 3-(3-aminophenyl)sulfonyl-N-methylpropanamide (CID 81180826) is 3-(3-aminophenyl)sulfonyl-N-methylpropanamide.
What is the SMILES notation for 3-(3-aminophenyl)sulfonyl-N-methylpropanamide?
The canonical SMILES for 3-(3-aminophenyl)sulfonyl-N-methylpropanamide is CNC(=O)CCS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)sulfonyl-N-methylpropanamide?
The InChIKey is RWEMKZJAQWAWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-12-10(13)5-6-16(14,15)9-4-2-3-8(11)7-9/h2-4,7H,5-6,11H2,1H3,(H,12,13).
What are the key properties of 3-(3-aminophenyl)sulfonyl-N-methylpropanamide?
3-(3-aminophenyl)sulfonyl-N-methylpropanamide has a molecular weight of 242.30 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)sulfonyl-N-methylpropanamide is sourced from PubChem (CID 81180826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).