3-(4-aminophenyl)sulfonylpropanamide

C9H12N2O3S — CID 61367837

IUPAC3-(4-aminophenyl)sulfonylpropanamide
SMILESNC(=O)CCS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C9H12N2O3S/c10-7-1-3-8(4-2-7)15(13,14)6-5-9(11)12/h1-4H,5-6,10H2,(H2,11,12)
InChIKeyZYCQZAMLCJVSKQ-UHFFFAOYSA-N
MW228.27 g/mol
LogP-0.08
Rot. Bonds4

About 3-(4-aminophenyl)sulfonylpropanamide

3-(4-aminophenyl)sulfonylpropanamide (PubChem CID 61367837) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 3-(4-aminophenyl)sulfonylpropanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)sulfonylpropanamide
PubChem CID61367837
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name3-(4-aminophenyl)sulfonylpropanamide
SMILESNC(=O)CCS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C9H12N2O3S/c10-7-1-3-8(4-2-7)15(13,14)6-5-9(11)12/h1-4H,5-6,10H2,(H2,11,12)
InChIKeyZYCQZAMLCJVSKQ-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)sulfonylpropanamide
CID 81180746
2-[(4-aminophenyl)sulfonylamino]acetamide
CID 3678127
2-(4-aminophenyl)sulfonyl-N-(diaminomethylidene)acetamide
CID 154194116
2-(4-aminophenyl)sulfonyl-N-carbamoylacetamide
CID 61369547
4-[2-(hydroxy-methylidene-oxo-λ6-sulfanyl)oxyethylsulfonyl]aniline
CID 147476168
20-(4-aminophenyl)sulfonyl-1,2-dihydroxyicosan-3-one
CID 20539766
4-(chloromethylsulfonyl)aniline
CID 12707626
3-[4-[4-(2-carboxyethylsulfonyl)phenyl]phenyl]sulfonylpropanoic acid
CID 2192651
3-[4-[4-(2-carboxylatoethylsulfonyl)phenyl]phenyl]sulfonylpropanoate
CID 2192650
N-[(4-aminophenyl)sulfonylmethyl]carbamate
CID 23617981
4-[(4-aminophenyl)sulfonylmethyl]aniline
CID 571742
4-[2-(ethylamino)ethylsulfonyl]aniline
CID 154432818

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)sulfonylpropanamide?
The IUPAC name of 3-(4-aminophenyl)sulfonylpropanamide (CID 61367837) is 3-(4-aminophenyl)sulfonylpropanamide.
What is the SMILES notation for 3-(4-aminophenyl)sulfonylpropanamide?
The canonical SMILES for 3-(4-aminophenyl)sulfonylpropanamide is NC(=O)CCS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)sulfonylpropanamide?
The InChIKey is ZYCQZAMLCJVSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c10-7-1-3-8(4-2-7)15(13,14)6-5-9(11)12/h1-4H,5-6,10H2,(H2,11,12).
What are the key properties of 3-(4-aminophenyl)sulfonylpropanamide?
3-(4-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-(4-aminophenyl)sulfonylpropanamide is sourced from PubChem (CID 61367837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).