3-chloro-N-[2-(difluoromethoxy)phenyl]propane-1-sulfonamide

C10H12ClF2NO3S — CID 43654163

IUPAC3-chloro-N-[2-(difluoromethoxy)phenyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)Nc1ccccc1OC(F)F
InChIInChI=1S/C10H12ClF2NO3S/c11-6-3-7-18(15,16)14-8-4-1-2-5-9(8)17-10(12)13/h1-2,4-5,10,14H,3,6-7H2
InChIKeyAQUZQJWAOCHICH-UHFFFAOYSA-N
MW299.73 g/mol
LogP2.66
Rot. Bonds7

About 3-chloro-N-[2-(difluoromethoxy)phenyl]propane-1-sulfonamide

3-chloro-N-[2-(difluoromethoxy)phenyl]propane-1-sulfonamide (PubChem CID 43654163) has the molecular formula C10H12ClF2NO3S and a molecular weight of 299.73 g/mol. Its IUPAC name is 3-chloro-N-[2-(difluoromethoxy)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(difluoromethoxy)phenyl]propane-1-sulfonamide
PubChem CID43654163
Molecular FormulaC10H12ClF2NO3S
Molecular Weight299.73 g/mol
Exact Mass299.02
IUPAC Name3-chloro-N-[2-(difluoromethoxy)phenyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)Nc1ccccc1OC(F)F
InChIInChI=1S/C10H12ClF2NO3S/c11-6-3-7-18(15,16)14-8-4-1-2-5-9(8)17-10(12)13/h1-2,4-5,10,14H,3,6-7H2
InChIKeyAQUZQJWAOCHICH-UHFFFAOYSA-N
XLogP2.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[2-(difluoromethoxy)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

3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide
CID 43653977
N-[2-(difluoromethoxy)phenyl]benzenesulfonamide
CID 8504766
3-chloro-N-(2-methylsulfonylphenyl)propane-1-sulfonamide
CID 43654272
2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]ethanesulfonamide
CID 107650616
N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 7950025
5-(aminomethyl)-N-[2-(difluoromethoxy)phenyl]furan-2-sulfonamide
CID 106030466
N-(2-ethoxyphenyl)propane-1-sulfonamide
CID 60641405
4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide
CID 116815122
N-[2-(difluoromethoxy)phenyl]-1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 2431390
2-[[2-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid
CID 61454482
3-chloro-N-(2-piperidin-1-ylphenyl)propane-1-sulfonamide
CID 43654348
1-chloro-N-[2-(2-methylpropoxy)phenyl]methanesulfonamide
CID 63664348

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(difluoromethoxy)phenyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[2-(difluoromethoxy)phenyl]propane-1-sulfonamide (CID 43654163) is 3-chloro-N-[2-(difluoromethoxy)phenyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(difluoromethoxy)phenyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[2-(difluoromethoxy)phenyl]propane-1-sulfonamide is O=S(=O)(CCCCl)Nc1ccccc1OC(F)F.
What is the InChIKey of 3-chloro-N-[2-(difluoromethoxy)phenyl]propane-1-sulfonamide?
The InChIKey is AQUZQJWAOCHICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO3S/c11-6-3-7-18(15,16)14-8-4-1-2-5-9(8)17-10(12)13/h1-2,4-5,10,14H,3,6-7H2.
What are the key properties of 3-chloro-N-[2-(difluoromethoxy)phenyl]propane-1-sulfonamide?
3-chloro-N-[2-(difluoromethoxy)phenyl]propane-1-sulfonamide has a molecular weight of 299.73 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(difluoromethoxy)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 43654163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).