2-fluoro-N-methyl-5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide

C19H21FN2O3S — CID 166231310

IUPAC2-fluoro-N-methyl-5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCCC2c2cccc(C)c2)ccc1F
InChIInChI=1S/C19H21FN2O3S/c1-13-5-3-6-14(11-13)17-7-4-10-22(17)19(23)15-8-9-16(20)18(12-15)26(24,25)21-2/h3,5-6,8-9,11-12,17,21H,4,7,10H2,1-2H3
InChIKeyIUEKKXBOQHTTMQ-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.02
Rot. Bonds4

About 2-fluoro-N-methyl-5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide

2-fluoro-N-methyl-5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide (PubChem CID 166231310) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-fluoro-N-methyl-5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
PubChem CID166231310
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name2-fluoro-N-methyl-5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCCC2c2cccc(C)c2)ccc1F
InChIInChI=1S/C19H21FN2O3S/c1-13-5-3-6-14(11-13)17-7-4-10-22(17)19(23)15-8-9-16(20)18(12-15)26(24,25)21-2/h3,5-6,8-9,11-12,17,21H,4,7,10H2,1-2H3
InChIKeyIUEKKXBOQHTTMQ-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 154750779
N-tert-butyl-5-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]-2-fluorobenzenesulfonamide
CID 166330291
5-[(2R,4R)-4-amino-2-methylpiperidine-1-carbonyl]-2-fluoro-N-methylbenzenesulfonamide
CID 124688578
5-(4-amino-2-methylpiperidine-1-carbonyl)-2-fluoro-N-methylbenzenesulfonamide
CID 126779851
(2,6-dipyridin-2-yl-4-pyridinyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 171673570
(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51856550
(2,6-dimethoxyphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 50747261
(2R)-1-(2,5-difluorophenyl)sulfonyl-2-(3-methylphenyl)pyrrolidine
CID 51855807
3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 46421177
3-[(2S)-2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 26666637
3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 83629742
N-methyl-4-[(2R)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
CID 39156898

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-methyl-5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide (CID 166231310) is 2-fluoro-N-methyl-5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-methyl-5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-methyl-5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide is CNS(=O)(=O)c1cc(C(=O)N2CCCC2c2cccc(C)c2)ccc1F.
What is the InChIKey of 2-fluoro-N-methyl-5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The InChIKey is IUEKKXBOQHTTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-13-5-3-6-14(11-13)17-7-4-10-22(17)19(23)15-8-9-16(20)18(12-15)26(24,25)21-2/h3,5-6,8-9,11-12,17,21H,4,7,10H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
2-fluoro-N-methyl-5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide has a molecular weight of 376.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-5-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 166231310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).