2-[(3-oxo-3-phenylpropyl)amino]benzenesulfonamide

C15H16N2O3S — CID 162394990

IUPAC2-[(3-oxo-3-phenylpropyl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NCCC(=O)c1ccccc1
InChIInChI=1S/C15H16N2O3S/c16-21(19,20)15-9-5-4-8-13(15)17-11-10-14(18)12-6-2-1-3-7-12/h1-9,17H,10-11H2,(H2,16,19,20)
InChIKeyRHQRHWJMFXACTB-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.02
Rot. Bonds6

About 2-[(3-oxo-3-phenylpropyl)amino]benzenesulfonamide

2-[(3-oxo-3-phenylpropyl)amino]benzenesulfonamide (PubChem CID 162394990) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[(3-oxo-3-phenylpropyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-[(3-oxo-3-phenylpropyl)amino]benzenesulfonamide
PubChem CID162394990
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-[(3-oxo-3-phenylpropyl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NCCC(=O)c1ccccc1
InChIInChI=1S/C15H16N2O3S/c16-21(19,20)15-9-5-4-8-13(15)17-11-10-14(18)12-6-2-1-3-7-12/h1-9,17H,10-11H2,(H2,16,19,20)
InChIKeyRHQRHWJMFXACTB-UHFFFAOYSA-N
XLogP2.02
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-(2-sulfamoylanilino)butanoic acid
CID 61129519
2-[2-(2-sulfamoylanilino)ethoxy]acetamide
CID 114162595
3-amino-N-(2-sulfamoylphenyl)propanamide
CID 10705385
2-(3-methylbutylamino)benzenesulfonamide
CID 43454227
2-(2-phenylsulfanylethylamino)benzenesulfonamide;hydrochloride
CID 142779207
1-(2-chloroethyl)-3-(2-sulfamoylphenyl)urea
CID 14868379
2-(4,4,4-trifluorobutylamino)benzenesulfonamide
CID 113327785
2-hydroxy-3-(2-sulfamoylanilino)propanamide
CID 106170840
N-propyl-2-(2-sulfamoylanilino)acetamide
CID 43567437
1-(3-chlorophenyl)-3-(2-hydroxyanilino)propan-1-one
CID 22145449
3-methyl-4-(2-sulfamoylanilino)butanoic acid
CID 81065364
2-(2,2-dimethylpropylamino)benzenesulfonamide
CID 61166662

Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-3-phenylpropyl)amino]benzenesulfonamide?
The IUPAC name of 2-[(3-oxo-3-phenylpropyl)amino]benzenesulfonamide (CID 162394990) is 2-[(3-oxo-3-phenylpropyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-[(3-oxo-3-phenylpropyl)amino]benzenesulfonamide?
The canonical SMILES for 2-[(3-oxo-3-phenylpropyl)amino]benzenesulfonamide is NS(=O)(=O)c1ccccc1NCCC(=O)c1ccccc1.
What is the InChIKey of 2-[(3-oxo-3-phenylpropyl)amino]benzenesulfonamide?
The InChIKey is RHQRHWJMFXACTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c16-21(19,20)15-9-5-4-8-13(15)17-11-10-14(18)12-6-2-1-3-7-12/h1-9,17H,10-11H2,(H2,16,19,20).
What are the key properties of 2-[(3-oxo-3-phenylpropyl)amino]benzenesulfonamide?
2-[(3-oxo-3-phenylpropyl)amino]benzenesulfonamide has a molecular weight of 304.37 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-3-phenylpropyl)amino]benzenesulfonamide is sourced from PubChem (CID 162394990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).