(3S,4S)-1-(4-fluoro-3-methylphenyl)sulfonyl-4-(methoxymethyl)pyrrolidine-3-carboxamide

C14H19FN2O4S — CID 110203496

IUPAC(3S,4S)-1-(4-fluoro-3-methylphenyl)sulfonyl-4-(methoxymethyl)pyrrolidine-3-carboxamide
SMILESCOC[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C)c2)C[C@H]1C(N)=O
InChIInChI=1S/C14H19FN2O4S/c1-9-5-11(3-4-13(9)15)22(19,20)17-6-10(8-21-2)12(7-17)14(16)18/h3-5,10,12H,6-8H2,1-2H3,(H2,16,18)/t10-,12+/m0/s1
InChIKeyZGVRJVIRWMRXSY-CMPLNLGQSA-N
MW330.38 g/mol
LogP0.50
Rot. Bonds5

About (3S,4S)-1-(4-fluoro-3-methylphenyl)sulfonyl-4-(methoxymethyl)pyrrolidine-3-carboxamide

(3S,4S)-1-(4-fluoro-3-methylphenyl)sulfonyl-4-(methoxymethyl)pyrrolidine-3-carboxamide (PubChem CID 110203496) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is (3S,4S)-1-(4-fluoro-3-methylphenyl)sulfonyl-4-(methoxymethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-(4-fluoro-3-methylphenyl)sulfonyl-4-(methoxymethyl)pyrrolidine-3-carboxamide
PubChem CID110203496
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name(3S,4S)-1-(4-fluoro-3-methylphenyl)sulfonyl-4-(methoxymethyl)pyrrolidine-3-carboxamide
SMILESCOC[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C)c2)C[C@H]1C(N)=O
InChIInChI=1S/C14H19FN2O4S/c1-9-5-11(3-4-13(9)15)22(19,20)17-6-10(8-21-2)12(7-17)14(16)18/h3-5,10,12H,6-8H2,1-2H3,(H2,16,18)/t10-,12+/m0/s1
InChIKeyZGVRJVIRWMRXSY-CMPLNLGQSA-N
XLogP0.50
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-1-(4-fluoro-3-methylphenyl)sulfonyl-4-(methoxymethyl)pyrrolidine-3-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

1-(4-fluoro-3-methylphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 90593624
(3S,4S)-1-(2,5-difluorophenyl)sulfonyl-4-(methoxymethyl)-N-methylpyrrolidine-3-carboxamide
CID 110203511
methyl 4-(4-fluoro-3-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818499
1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 155823226
ethyl N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]carbamate
CID 110823231
1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978268
1-(4-fluoro-3-methylphenyl)sulfonyl-4-[(2R)-1-methoxypropan-2-yl]piperazine
CID 95635970
2-chloro-1-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 28705564
1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 43845541
N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 110726948
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 110868573
4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine
CID 52985823

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(4-fluoro-3-methylphenyl)sulfonyl-4-(methoxymethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-(4-fluoro-3-methylphenyl)sulfonyl-4-(methoxymethyl)pyrrolidine-3-carboxamide (CID 110203496) is (3S,4S)-1-(4-fluoro-3-methylphenyl)sulfonyl-4-(methoxymethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-(4-fluoro-3-methylphenyl)sulfonyl-4-(methoxymethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-(4-fluoro-3-methylphenyl)sulfonyl-4-(methoxymethyl)pyrrolidine-3-carboxamide is COC[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C)c2)C[C@H]1C(N)=O.
What is the InChIKey of (3S,4S)-1-(4-fluoro-3-methylphenyl)sulfonyl-4-(methoxymethyl)pyrrolidine-3-carboxamide?
The InChIKey is ZGVRJVIRWMRXSY-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-9-5-11(3-4-13(9)15)22(19,20)17-6-10(8-21-2)12(7-17)14(16)18/h3-5,10,12H,6-8H2,1-2H3,(H2,16,18)/t10-,12+/m0/s1.
What are the key properties of (3S,4S)-1-(4-fluoro-3-methylphenyl)sulfonyl-4-(methoxymethyl)pyrrolidine-3-carboxamide?
(3S,4S)-1-(4-fluoro-3-methylphenyl)sulfonyl-4-(methoxymethyl)pyrrolidine-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(4-fluoro-3-methylphenyl)sulfonyl-4-(methoxymethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110203496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).