N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide

C15H16N2O3S — CID 43444138

IUPACN-(2-aminophenyl)-3-(benzenesulfonyl)propanamide
SMILESNc1ccccc1NC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16N2O3S/c16-13-8-4-5-9-14(13)17-15(18)10-11-21(19,20)12-6-2-1-3-7-12/h1-9H,10-11,16H2,(H,17,18)
InChIKeyVVTKTSADCPIJBK-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.07
Rot. Bonds5

About N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide

N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide (PubChem CID 43444138) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(benzenesulfonyl)propanamide
PubChem CID43444138
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-(2-aminophenyl)-3-(benzenesulfonyl)propanamide
SMILESNc1ccccc1NC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16N2O3S/c16-13-8-4-5-9-14(13)17-15(18)10-11-21(19,20)12-6-2-1-3-7-12/h1-9H,10-11,16H2,(H,17,18)
InChIKeyVVTKTSADCPIJBK-UHFFFAOYSA-N
XLogP2.07
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.07
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

N-(2-aminophenyl)-2-(benzenesulfonyl)acetamide
CID 43444147
N-(2-aminophenyl)-3-thiophen-2-ylsulfonylpropanamide
CID 43443981
methyl 3-[3-(2-aminoanilino)-3-oxopropyl]sulfonylpropanoate
CID 43618100
3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide
CID 18076702
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 4285781
3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 17310093
2-[3-(benzenesulfonyl)propanoylamino]-N-tert-butylbenzamide
CID 17310177
3-(benzenesulfonyl)-N-pyrimidin-2-ylpropanamide
CID 3163450
6-(benzenesulfonyl)-N-(2-hydroxyphenyl)hexanamide
CID 135365962
3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide
CID 7202615
3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 110294989

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide?
The IUPAC name of N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide (CID 43444138) is N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide is Nc1ccccc1NC(=O)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide?
The InChIKey is VVTKTSADCPIJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c16-13-8-4-5-9-14(13)17-15(18)10-11-21(19,20)12-6-2-1-3-7-12/h1-9H,10-11,16H2,(H,17,18).
What are the key properties of N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide?
N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide has a molecular weight of 304.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide is sourced from PubChem (CID 43444138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).