N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]propane-1-sulfonamide

C15H22ClFN2O2S — CID 75394109

IUPACN-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1CCN(C)C1c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H22ClFN2O2S/c1-3-8-22(20,21)18-10-12-6-7-19(2)15(12)11-4-5-13(16)14(17)9-11/h4-5,9,12,15,18H,3,6-8,10H2,1-2H3
InChIKeyVVSBFYHHTDPWLM-UHFFFAOYSA-N
MW348.87 g/mol
LogP2.80
Rot. Bonds6

About N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]propane-1-sulfonamide

N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]propane-1-sulfonamide (PubChem CID 75394109) has the molecular formula C15H22ClFN2O2S and a molecular weight of 348.87 g/mol. Its IUPAC name is N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]propane-1-sulfonamide
PubChem CID75394109
Molecular FormulaC15H22ClFN2O2S
Molecular Weight348.87 g/mol
Exact Mass348.11
IUPAC NameN-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1CCN(C)C1c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H22ClFN2O2S/c1-3-8-22(20,21)18-10-12-6-7-19(2)15(12)11-4-5-13(16)14(17)9-11/h4-5,9,12,15,18H,3,6-8,10H2,1-2H3
InChIKeyVVSBFYHHTDPWLM-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]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

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]propane-1-sulfonamide (CID 75394109) is N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC1CCN(C)C1c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]propane-1-sulfonamide?
The InChIKey is VVSBFYHHTDPWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2O2S/c1-3-8-22(20,21)18-10-12-6-7-19(2)15(12)11-4-5-13(16)14(17)9-11/h4-5,9,12,15,18H,3,6-8,10H2,1-2H3.
What are the key properties of N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]propane-1-sulfonamide?
N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]propane-1-sulfonamide has a molecular weight of 348.87 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 75394109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).