N-[4-(3-oxobutyl)phenyl]benzenesulfonamide

C16H17NO3S — CID 67020204

IUPACN-[4-(3-oxobutyl)phenyl]benzenesulfonamide
SMILESCC(=O)CCc1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-13(18)7-8-14-9-11-15(12-10-14)17-21(19,20)16-5-3-2-4-6-16/h2-6,9-12,17H,7-8H2,1H3
InChIKeyNYSMETNARNYPTR-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.01
Rot. Bonds6

About N-[4-(3-oxobutyl)phenyl]benzenesulfonamide

N-[4-(3-oxobutyl)phenyl]benzenesulfonamide (PubChem CID 67020204) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[4-(3-oxobutyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-oxobutyl)phenyl]benzenesulfonamide
PubChem CID67020204
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-[4-(3-oxobutyl)phenyl]benzenesulfonamide
SMILESCC(=O)CCc1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-13(18)7-8-14-9-11-15(12-10-14)17-21(19,20)16-5-3-2-4-6-16/h2-6,9-12,17H,7-8H2,1H3
InChIKeyNYSMETNARNYPTR-UHFFFAOYSA-N
XLogP3.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(3-oxobutyl)phenyl]benzenesulfonamide 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

3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid
CID 17341594
3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate
CID 8009335
3-[4-[(4-methylsulfanylphenyl)sulfamoyl]phenyl]propanoic acid
CID 8860708
3-[4-(naphthalen-2-ylsulfamoyl)phenyl]propanoic acid
CID 9234966
4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide
CID 2231369
ethyl 2-[4-(benzenesulfonamido)phenyl]acetate
CID 23333624
3-[4-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]phenyl]propanoic acid
CID 24580865
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide
CID 39397991
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462
N-(4-pentanoylphenyl)benzenesulfonamide
CID 4248853
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxobutyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(3-oxobutyl)phenyl]benzenesulfonamide (CID 67020204) is N-[4-(3-oxobutyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(3-oxobutyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(3-oxobutyl)phenyl]benzenesulfonamide is CC(=O)CCc1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(3-oxobutyl)phenyl]benzenesulfonamide?
The InChIKey is NYSMETNARNYPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-13(18)7-8-14-9-11-15(12-10-14)17-21(19,20)16-5-3-2-4-6-16/h2-6,9-12,17H,7-8H2,1H3.
What are the key properties of N-[4-(3-oxobutyl)phenyl]benzenesulfonamide?
N-[4-(3-oxobutyl)phenyl]benzenesulfonamide has a molecular weight of 303.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxobutyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 67020204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).