3-[(2S)-2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide

C19H22N2O4S — CID 26666637

IUPAC3-[(2S)-2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccc(OC)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-20-26(23,24)17-6-3-5-15(13-17)19(22)21-12-4-7-18(21)14-8-10-16(25-2)11-9-14/h3,5-6,8-11,13,18,20H,4,7,12H2,1-2H3/t18-/m0/s1
InChIKeyZOOSRYCEOYAJQA-SFHVURJKSA-N
MW374.46 g/mol
LogP2.58
Rot. Bonds5

About 3-[(2S)-2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide

3-[(2S)-2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide (PubChem CID 26666637) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-[(2S)-2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(2S)-2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
PubChem CID26666637
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-[(2S)-2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccc(OC)cc2)c1
InChIInChI=1S/C19H22N2O4S/c1-20-26(23,24)17-6-3-5-15(13-17)19(22)21-12-4-7-18(21)14-8-10-16(25-2)11-9-14/h3,5-6,8-11,13,18,20H,4,7,12H2,1-2H3/t18-/m0/s1
InChIKeyZOOSRYCEOYAJQA-SFHVURJKSA-N
XLogP2.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 46421177
[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylphenyl)methanone
CID 9361971
N-cyclopropyl-3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 46637078
4-[3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 42947283
3-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 99297656
N-benzyl-3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 55497289
N-[3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 51152058
N-(2-methoxyphenyl)-3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 43043956
3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 27034304
3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 46510365
3-(2-phenylpyrrolidine-1-carbonyl)-N-prop-2-ynylbenzenesulfonamide
CID 51325401
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[(2S)-2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide (CID 26666637) is 3-[(2S)-2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(2S)-2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[(2S)-2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccc(OC)cc2)c1.
What is the InChIKey of 3-[(2S)-2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide?
The InChIKey is ZOOSRYCEOYAJQA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-20-26(23,24)17-6-3-5-15(13-17)19(22)21-12-4-7-18(21)14-8-10-16(25-2)11-9-14/h3,5-6,8-11,13,18,20H,4,7,12H2,1-2H3/t18-/m0/s1.
What are the key properties of 3-[(2S)-2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide?
3-[(2S)-2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 26666637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).