N-propylbenzenesulfonamide

C9H13NO2S — CID 2165127

IUPACN-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H13NO2S/c1-2-8-10-13(11,12)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyOKPTYPHVKNNPSG-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.37
Rot. Bonds4

About N-propylbenzenesulfonamide

N-propylbenzenesulfonamide (PubChem CID 2165127) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-propylbenzenesulfonamide
PubChem CID2165127
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC NameN-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C9H13NO2S/c1-2-8-10-13(11,12)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyOKPTYPHVKNNPSG-UHFFFAOYSA-N
XLogP1.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 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

Frequently Asked Questions

What is the IUPAC name of N-propylbenzenesulfonamide?
The IUPAC name of N-propylbenzenesulfonamide (CID 2165127) is N-propylbenzenesulfonamide.
What is the SMILES notation for N-propylbenzenesulfonamide?
The canonical SMILES for N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-propylbenzenesulfonamide?
The InChIKey is OKPTYPHVKNNPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-2-8-10-13(11,12)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3.
What are the key properties of N-propylbenzenesulfonamide?
N-propylbenzenesulfonamide has a molecular weight of 199.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylbenzenesulfonamide is sourced from PubChem (CID 2165127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).