(2S)-2-(difluoromethyl)-N-[[2-(methanesulfonamido)phenyl]methyl]pyrrolidine-1-carboxamide

C14H19F2N3O3S — CID 138049612

IUPAC(2S)-2-(difluoromethyl)-N-[[2-(methanesulfonamido)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCS(=O)(=O)Nc1ccccc1CNC(=O)N1CCC[C@H]1C(F)F
InChIInChI=1S/C14H19F2N3O3S/c1-23(21,22)18-11-6-3-2-5-10(11)9-17-14(20)19-8-4-7-12(19)13(15)16/h2-3,5-6,12-13,18H,4,7-9H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeyPJAMVOBUPHHLAI-LBPRGKRZSA-N
MW347.39 g/mol
LogP2.00
Rot. Bonds5

About (2S)-2-(difluoromethyl)-N-[[2-(methanesulfonamido)phenyl]methyl]pyrrolidine-1-carboxamide

(2S)-2-(difluoromethyl)-N-[[2-(methanesulfonamido)phenyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 138049612) has the molecular formula C14H19F2N3O3S and a molecular weight of 347.39 g/mol. Its IUPAC name is (2S)-2-(difluoromethyl)-N-[[2-(methanesulfonamido)phenyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(difluoromethyl)-N-[[2-(methanesulfonamido)phenyl]methyl]pyrrolidine-1-carboxamide
PubChem CID138049612
Molecular FormulaC14H19F2N3O3S
Molecular Weight347.39 g/mol
Exact Mass347.11
IUPAC Name(2S)-2-(difluoromethyl)-N-[[2-(methanesulfonamido)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCS(=O)(=O)Nc1ccccc1CNC(=O)N1CCC[C@H]1C(F)F
InChIInChI=1S/C14H19F2N3O3S/c1-23(21,22)18-11-6-3-2-5-10(11)9-17-14(20)19-8-4-7-12(19)13(15)16/h2-3,5-6,12-13,18H,4,7-9H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeyPJAMVOBUPHHLAI-LBPRGKRZSA-N
XLogP2.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(difluoromethyl)-N-[[2-(methanesulfonamido)phenyl]methyl]pyrrolidine-1-carboxamide 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 (2S)-2-(difluoromethyl)-N-[[2-(methanesulfonamido)phenyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(difluoromethyl)-N-[[2-(methanesulfonamido)phenyl]methyl]pyrrolidine-1-carboxamide (CID 138049612) is (2S)-2-(difluoromethyl)-N-[[2-(methanesulfonamido)phenyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(difluoromethyl)-N-[[2-(methanesulfonamido)phenyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(difluoromethyl)-N-[[2-(methanesulfonamido)phenyl]methyl]pyrrolidine-1-carboxamide is CS(=O)(=O)Nc1ccccc1CNC(=O)N1CCC[C@H]1C(F)F.
What is the InChIKey of (2S)-2-(difluoromethyl)-N-[[2-(methanesulfonamido)phenyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is PJAMVOBUPHHLAI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19F2N3O3S/c1-23(21,22)18-11-6-3-2-5-10(11)9-17-14(20)19-8-4-7-12(19)13(15)16/h2-3,5-6,12-13,18H,4,7-9H2,1H3,(H,17,20)/t12-/m0/s1.
What are the key properties of (2S)-2-(difluoromethyl)-N-[[2-(methanesulfonamido)phenyl]methyl]pyrrolidine-1-carboxamide?
(2S)-2-(difluoromethyl)-N-[[2-(methanesulfonamido)phenyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(difluoromethyl)-N-[[2-(methanesulfonamido)phenyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 138049612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).