3-(4-chlorobutylsulfonylamino)-N-propylbenzamide

C14H21ClN2O3S — CID 116815540

IUPAC3-(4-chlorobutylsulfonylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NS(=O)(=O)CCCCCl)c1
InChIInChI=1S/C14H21ClN2O3S/c1-2-9-16-14(18)12-6-5-7-13(11-12)17-21(19,20)10-4-3-8-15/h5-7,11,17H,2-4,8-10H2,1H3,(H,16,18)
InChIKeyUFNUTCAGAJFDQG-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.59
Rot. Bonds9

About 3-(4-chlorobutylsulfonylamino)-N-propylbenzamide

3-(4-chlorobutylsulfonylamino)-N-propylbenzamide (PubChem CID 116815540) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 3-(4-chlorobutylsulfonylamino)-N-propylbenzamide.

Molecular Properties

Compound Name3-(4-chlorobutylsulfonylamino)-N-propylbenzamide
PubChem CID116815540
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name3-(4-chlorobutylsulfonylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NS(=O)(=O)CCCCCl)c1
InChIInChI=1S/C14H21ClN2O3S/c1-2-9-16-14(18)12-6-5-7-13(11-12)17-21(19,20)10-4-3-8-15/h5-7,11,17H,2-4,8-10H2,1H3,(H,16,18)
InChIKeyUFNUTCAGAJFDQG-UHFFFAOYSA-N
XLogP2.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-(4-chlorobutylsulfonylamino)-N-propylbenzamide 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-(3-chloropropylsulfonylamino)-N-propylbenzamide
CID 60959205
N-(3-acetylphenyl)-4-chlorobutane-1-sulfonamide
CID 116814959
N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide
CID 60518791
N-[3-(4-chlorobutylsulfonylamino)phenyl]propanamide
CID 116815957
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide
CID 55660410
3-(octylsulfonylamino)benzoic acid
CID 152726076
N,N-dimethyl-3-(propylsulfonylamino)benzamide
CID 46449543
4-chloro-N-(3-methylphenyl)butane-1-sulfonamide
CID 116815142
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide
CID 17495670
N-(3-piperazin-1-ylpropyl)-3-(propylsulfonylamino)benzamide;hydrochloride
CID 119393786
3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide
CID 110601282
3-(ethylamino)-N-propylbenzamide
CID 43676038

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorobutylsulfonylamino)-N-propylbenzamide?
The IUPAC name of 3-(4-chlorobutylsulfonylamino)-N-propylbenzamide (CID 116815540) is 3-(4-chlorobutylsulfonylamino)-N-propylbenzamide.
What is the SMILES notation for 3-(4-chlorobutylsulfonylamino)-N-propylbenzamide?
The canonical SMILES for 3-(4-chlorobutylsulfonylamino)-N-propylbenzamide is CCCNC(=O)c1cccc(NS(=O)(=O)CCCCCl)c1.
What is the InChIKey of 3-(4-chlorobutylsulfonylamino)-N-propylbenzamide?
The InChIKey is UFNUTCAGAJFDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-2-9-16-14(18)12-6-5-7-13(11-12)17-21(19,20)10-4-3-8-15/h5-7,11,17H,2-4,8-10H2,1H3,(H,16,18).
What are the key properties of 3-(4-chlorobutylsulfonylamino)-N-propylbenzamide?
3-(4-chlorobutylsulfonylamino)-N-propylbenzamide has a molecular weight of 332.85 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorobutylsulfonylamino)-N-propylbenzamide is sourced from PubChem (CID 116815540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).