N-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide

C12H16ClNO3S — CID 113436723

IUPACN-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)CCCl)cc1
InChIInChI=1S/C12H16ClNO3S/c1-2-9-18(16,17)14-11-5-3-10(4-6-11)12(15)7-8-13/h3-6,14H,2,7-9H2,1H3
InChIKeyQMLIOOKDXJLSCC-UHFFFAOYSA-N
MW289.78 g/mol
LogP2.65
Rot. Bonds7

About N-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide

N-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide (PubChem CID 113436723) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is N-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide
PubChem CID113436723
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC NameN-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(C(=O)CCCl)cc1
InChIInChI=1S/C12H16ClNO3S/c1-2-9-18(16,17)14-11-5-3-10(4-6-11)12(15)7-8-13/h3-6,14H,2,7-9H2,1H3
InChIKeyQMLIOOKDXJLSCC-UHFFFAOYSA-N
XLogP2.65
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide 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-[4-(3-methylbutanoyl)phenyl]propane-1-sulfonamide
CID 43339119
N-[4-(3,3,3-trifluoropropanoyl)phenyl]propane-1-sulfonamide
CID 43161175
N,N-diethyl-4-(propylsulfonylamino)benzamide
CID 60640578
N-[4-(3-chloro-4-methoxybenzoyl)phenyl]propane-1-sulfonamide
CID 110670204
N-(4-tert-butylphenyl)-4-(propylsulfonylamino)benzamide
CID 142682977
2-[4-(propylsulfonylamino)phenyl]acetic acid
CID 16786405
N-(4-heptanoylphenyl)methanesulfonamide
CID 114752118
N-(4-butanoylphenyl)-4-chlorobenzenesulfonamide
CID 3727676
N-[4-(furan-2-carbonyl)phenyl]propane-1-sulfonamide
CID 43463156
N-[4-(hydrazinecarbonyl)phenyl]pentane-1-sulfonamide
CID 67849300
N-(4-benzoylphenyl)butane-1-sulfonamide
CID 21486671
N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide
CID 112984927

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide (CID 113436723) is N-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(C(=O)CCCl)cc1.
What is the InChIKey of N-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide?
The InChIKey is QMLIOOKDXJLSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-2-9-18(16,17)14-11-5-3-10(4-6-11)12(15)7-8-13/h3-6,14H,2,7-9H2,1H3.
What are the key properties of N-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide?
N-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide has a molecular weight of 289.78 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloropropanoyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 113436723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).