N-(4-sulfamoylphenyl)propanamide

C9H12N2O3S — CID 847760

IUPACN-(4-sulfamoylphenyl)propanamide
SMILESCCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H12N2O3S/c1-2-9(12)11-7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14)
InChIKeyKEFCIQSZJXXOLO-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.68
Rot. Bonds3

About N-(4-sulfamoylphenyl)propanamide

N-(4-sulfamoylphenyl)propanamide (PubChem CID 847760) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-sulfamoylphenyl)propanamide
PubChem CID847760
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC NameN-(4-sulfamoylphenyl)propanamide
SMILESCCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H12N2O3S/c1-2-9(12)11-7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14)
InChIKeyKEFCIQSZJXXOLO-UHFFFAOYSA-N
XLogP0.68
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of N-(4-sulfamoylphenyl)propanamide (CID 847760) is N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for N-(4-sulfamoylphenyl)propanamide is CCC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-(4-sulfamoylphenyl)propanamide?
The InChIKey is KEFCIQSZJXXOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-2-9(12)11-7-3-5-8(6-4-7)15(10,13)14/h3-6H,2H2,1H3,(H,11,12)(H2,10,13,14).
What are the key properties of N-(4-sulfamoylphenyl)propanamide?
N-(4-sulfamoylphenyl)propanamide has a molecular weight of 228.27 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 847760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).