4-(2-oxopentan-3-yl)-N-propylbenzenesulfonamide

C14H21NO3S — CID 55167882

IUPAC4-(2-oxopentan-3-yl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(C(CC)C(C)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-4-10-15-19(17,18)13-8-6-12(7-9-13)14(5-2)11(3)16/h6-9,14-15H,4-5,10H2,1-3H3
InChIKeyRHTRZUYNTMDQRC-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.46
Rot. Bonds7

About 4-(2-oxopentan-3-yl)-N-propylbenzenesulfonamide

4-(2-oxopentan-3-yl)-N-propylbenzenesulfonamide (PubChem CID 55167882) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-(2-oxopentan-3-yl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-oxopentan-3-yl)-N-propylbenzenesulfonamide
PubChem CID55167882
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name4-(2-oxopentan-3-yl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(C(CC)C(C)=O)cc1
InChIInChI=1S/C14H21NO3S/c1-4-10-15-19(17,18)13-8-6-12(7-9-13)14(5-2)11(3)16/h6-9,14-15H,4-5,10H2,1-3H3
InChIKeyRHTRZUYNTMDQRC-UHFFFAOYSA-N
XLogP2.46
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-oxopentan-3-yl)-N-propylbenzenesulfonamide 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

N-ethyl-4-(2-oxopentan-3-yl)benzenesulfonamide
CID 55218470
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216
2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 17320825
2-[4-(propan-2-ylsulfamoyl)phenyl]butanoic acid
CID 113428098
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 31481872
4-butan-2-yl-N-(2-chloroethyl)benzenesulfonamide
CID 162435605
2-hydroxy-2-methyl-3-[[4-(propylsulfamoyl)phenyl]sulfonylamino]propanoic acid
CID 122071580
4-(methanesulfonamido)-N-propylbenzenesulfonamide
CID 6458395
N-propyl-4-(trifluoromethyl)benzenesulfonamide
CID 43212868
cis-(1R,2S)-2-methyl-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 28846768
4-(4-hydroxyphenyl)sulfanyl-N-propylbenzenesulfonamide
CID 61031097

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopentan-3-yl)-N-propylbenzenesulfonamide?
The IUPAC name of 4-(2-oxopentan-3-yl)-N-propylbenzenesulfonamide (CID 55167882) is 4-(2-oxopentan-3-yl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-(2-oxopentan-3-yl)-N-propylbenzenesulfonamide?
The canonical SMILES for 4-(2-oxopentan-3-yl)-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(C(CC)C(C)=O)cc1.
What is the InChIKey of 4-(2-oxopentan-3-yl)-N-propylbenzenesulfonamide?
The InChIKey is RHTRZUYNTMDQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-4-10-15-19(17,18)13-8-6-12(7-9-13)14(5-2)11(3)16/h6-9,14-15H,4-5,10H2,1-3H3.
What are the key properties of 4-(2-oxopentan-3-yl)-N-propylbenzenesulfonamide?
4-(2-oxopentan-3-yl)-N-propylbenzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopentan-3-yl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 55167882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).