N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyrrolidine-1-carboxamide

C13H17FN2O3S — CID 71970733

IUPACN-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCS(=O)(=O)Cc1ccc(NC(=O)N2CCCC2)cc1F
InChIInChI=1S/C13H17FN2O3S/c1-20(18,19)9-10-4-5-11(8-12(10)14)15-13(17)16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,17)
InChIKeyFKIGPDZHHJCWPY-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.00
Rot. Bonds3

About N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyrrolidine-1-carboxamide

N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 71970733) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID71970733
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC NameN-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCS(=O)(=O)Cc1ccc(NC(=O)N2CCCC2)cc1F
InChIInChI=1S/C13H17FN2O3S/c1-20(18,19)9-10-4-5-11(8-12(10)14)15-13(17)16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,17)
InChIKeyFKIGPDZHHJCWPY-UHFFFAOYSA-N
XLogP2.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]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

Related Compounds

N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126796006
N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
N-(4-ethyl-3-fluorophenyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 75518465
3,3,3-trifluoro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]propanamide
CID 75426435
2-chloro-N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]benzamide
CID 71919701
1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087514
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]azepane-1-carboxamide
CID 79157683
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
N-(4-fluoro-3-methoxyphenyl)azepane-1-carboxamide
CID 114839187
N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 47456948
N-(3-fluoro-4-nitrophenyl)piperidine-1-carboxamide
CID 116657035
N-[4-[4-amino-6-(methylsulfonylmethyl)pyrimidin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 70306369

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyrrolidine-1-carboxamide (CID 71970733) is N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyrrolidine-1-carboxamide is CS(=O)(=O)Cc1ccc(NC(=O)N2CCCC2)cc1F.
What is the InChIKey of N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is FKIGPDZHHJCWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-20(18,19)9-10-4-5-11(8-12(10)14)15-13(17)16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,17).
What are the key properties of N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyrrolidine-1-carboxamide?
N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 300.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71970733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).