3-(3-aminophenyl)sulfonylpropanamide

C9H12N2O3S — CID 81180746

IUPAC3-(3-aminophenyl)sulfonylpropanamide
SMILESNC(=O)CCS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C9H12N2O3S/c10-7-2-1-3-8(6-7)15(13,14)5-4-9(11)12/h1-3,6H,4-5,10H2,(H2,11,12)
InChIKeyQQDOVXQPFABSKZ-UHFFFAOYSA-N
MW228.27 g/mol
LogP-0.08
Rot. Bonds4

About 3-(3-aminophenyl)sulfonylpropanamide

3-(3-aminophenyl)sulfonylpropanamide (PubChem CID 81180746) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 3-(3-aminophenyl)sulfonylpropanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)sulfonylpropanamide
PubChem CID81180746
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name3-(3-aminophenyl)sulfonylpropanamide
SMILESNC(=O)CCS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C9H12N2O3S/c10-7-2-1-3-8(6-7)15(13,14)5-4-9(11)12/h1-3,6H,4-5,10H2,(H2,11,12)
InChIKeyQQDOVXQPFABSKZ-UHFFFAOYSA-N
XLogP-0.08
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 5-0.08
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)sulfonyl-N-methylpropanamide
CID 81180826
3-(4-aminophenyl)sulfonylpropanamide
CID 61367837
3-(3-aminophenyl)sulfonyl-N-cyclopropylpropanamide
CID 81181099
4-(3-aminophenyl)sulfonyl-N,N-dimethylbutanamide
CID 81180754
3-(2-ethylsulfonylethylsulfonyl)aniline
CID 81180203
3-(3-methylsulfonylpropylsulfonyl)aniline
CID 81181376
3-[2-(trifluoromethoxy)ethylsulfonyl]aniline
CID 81180478
2-[(3-aminophenyl)sulfonylmethyl]benzamide
CID 81180661
3-aminobenzenesulfonic acid;azane
CID 173113808
bis(3-aminobenzenesulfonic acid);sulfane
CID 175800902
2-[(3-aminophenyl)sulfonylamino]ethyl carbamate
CID 83202632
6-(3-aminophenyl)hexanamide
CID 121009137

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)sulfonylpropanamide?
The IUPAC name of 3-(3-aminophenyl)sulfonylpropanamide (CID 81180746) is 3-(3-aminophenyl)sulfonylpropanamide.
What is the SMILES notation for 3-(3-aminophenyl)sulfonylpropanamide?
The canonical SMILES for 3-(3-aminophenyl)sulfonylpropanamide is NC(=O)CCS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)sulfonylpropanamide?
The InChIKey is QQDOVXQPFABSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c10-7-2-1-3-8(6-7)15(13,14)5-4-9(11)12/h1-3,6H,4-5,10H2,(H2,11,12).
What are the key properties of 3-(3-aminophenyl)sulfonylpropanamide?
3-(3-aminophenyl)sulfonylpropanamide has a molecular weight of 228.27 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)sulfonylpropanamide is sourced from PubChem (CID 81180746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).