N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide

C9H11ClFNO2S — CID 60640735

IUPACN-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C9H11ClFNO2S/c1-2-5-15(13,14)12-9-4-3-7(10)6-8(9)11/h3-4,6,12H,2,5H2,1H3
InChIKeyMXBDACHKRHDVBG-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.63
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide

N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide (PubChem CID 60640735) has the molecular formula C9H11ClFNO2S and a molecular weight of 251.71 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
PubChem CID60640735
Molecular FormulaC9H11ClFNO2S
Molecular Weight251.71 g/mol
Exact Mass251.02
IUPAC NameN-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C9H11ClFNO2S/c1-2-5-15(13,14)12-9-4-3-7(10)6-8(9)11/h3-4,6,12H,2,5H2,1H3
InChIKeyMXBDACHKRHDVBG-UHFFFAOYSA-N
XLogP2.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-chloro-2-fluorophenyl)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

2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide
CID 61472414
N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide
CID 43114648
N-(2-chloro-4-fluorophenyl)propane-1-sulfonamide
CID 60640751
N-(2,4-dichlorophenyl)butane-1-sulfonamide
CID 110757016
N-(2-fluorophenyl)propane-1-sulfonamide
CID 60640812
N-(2-fluoro-5-methylphenyl)propane-1-sulfonamide
CID 60641408
N-(4-chloro-2-hydroxyphenyl)butane-1-sulfonamide
CID 81434097
N-(4-chloro-2-fluorophenyl)-3-(propylsulfonylamino)benzamide
CID 36766369
N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide
CID 6468897
N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide
CID 53419003
sodium N-(4-chloro-2-fluorophenyl)sulfamate
CID 23674123
N-(5-chloro-2-methylphenyl)butane-1-sulfonamide
CID 6466028

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide (CID 60640735) is N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide?
The InChIKey is MXBDACHKRHDVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO2S/c1-2-5-15(13,14)12-9-4-3-7(10)6-8(9)11/h3-4,6,12H,2,5H2,1H3.
What are the key properties of N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide?
N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide has a molecular weight of 251.71 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide is sourced from PubChem (CID 60640735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).