3-butanoylbenzenesulfonamide

C10H13NO3S — CID 63839666

IUPAC3-butanoylbenzenesulfonamide
SMILESCCCC(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C10H13NO3S/c1-2-4-10(12)8-5-3-6-9(7-8)15(11,13)14/h3,5-7H,2,4H2,1H3,(H2,11,13,14)
InChIKeyYYTIJPWKEIGLQD-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.32
Rot. Bonds4

About 3-butanoylbenzenesulfonamide

3-butanoylbenzenesulfonamide (PubChem CID 63839666) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-butanoylbenzenesulfonamide.

Molecular Properties

Compound Name3-butanoylbenzenesulfonamide
PubChem CID63839666
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name3-butanoylbenzenesulfonamide
SMILESCCCC(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C10H13NO3S/c1-2-4-10(12)8-5-3-6-9(7-8)15(11,13)14/h3,5-7H,2,4H2,1H3,(H2,11,13,14)
InChIKeyYYTIJPWKEIGLQD-UHFFFAOYSA-N
XLogP1.32
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-butanoylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylsulfonylphenyl)butan-1-one
CID 83957439
1-(3-propan-2-ylsulfonylphenyl)butan-1-one
CID 83957507
N-ethyl-3-sulfamoylbenzamide
CID 43089872
1-[3-(2-hydroxy-2-propylpentyl)sulfonylphenyl]butan-1-one
CID 91013427
1-(3-bromophenyl)butan-1-one
CID 18417701
1-(3-methylphenyl)butan-1-one
CID 4304992
1-(3-propylsulfonylphenyl)pentan-1-one
CID 83957480
N-propan-2-yl-N-propyl-3-sulfamoylbenzamide
CID 43269913
dodecyl 3-sulfamoylbenzoate
CID 57216303
3-(2,2-dimethylpropanoyl)benzenesulfonamide
CID 58728640
2-butoxyethyl 3-sulfamoylbenzoate
CID 65382492
2-ethoxyethyl 3-sulfamoylbenzoate
CID 60642833

Frequently Asked Questions

What is the IUPAC name of 3-butanoylbenzenesulfonamide?
The IUPAC name of 3-butanoylbenzenesulfonamide (CID 63839666) is 3-butanoylbenzenesulfonamide.
What is the SMILES notation for 3-butanoylbenzenesulfonamide?
The canonical SMILES for 3-butanoylbenzenesulfonamide is CCCC(=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-butanoylbenzenesulfonamide?
The InChIKey is YYTIJPWKEIGLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-2-4-10(12)8-5-3-6-9(7-8)15(11,13)14/h3,5-7H,2,4H2,1H3,(H2,11,13,14).
What are the key properties of 3-butanoylbenzenesulfonamide?
3-butanoylbenzenesulfonamide has a molecular weight of 227.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butanoylbenzenesulfonamide is sourced from PubChem (CID 63839666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).