1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide

C19H21N3O4S — CID 50816019

IUPAC1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C19H21N3O4S/c1-20-18(23)17-11-6-12-22(17)19(24)14-7-5-8-15(13-14)21-27(25,26)16-9-3-2-4-10-16/h2-5,7-10,13,17,21H,6,11-12H2,1H3,(H,20,23)
InChIKeyOYMZQDJSNVCHDW-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.84
Rot. Bonds5

About 1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide

1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 50816019) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID50816019
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C19H21N3O4S/c1-20-18(23)17-11-6-12-22(17)19(24)14-7-5-8-15(13-14)21-27(25,26)16-9-3-2-4-10-16/h2-5,7-10,13,17,21H,6,11-12H2,1H3,(H,20,23)
InChIKeyOYMZQDJSNVCHDW-UHFFFAOYSA-N
XLogP1.84
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide
CID 50816049
(2S)-1-[3-(benzenesulfonamido)benzoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 92728331
1-[3-(benzenesulfonamido)benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 50815971
1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide
CID 20974043
1-[3-[(4-cyclohexylphenyl)sulfonylamino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 50815951
N-butan-2-yl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 46375219
(2R)-1-[4-(benzenesulfonamido)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 92729981
(2S)-1-[3-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 92728389
N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride
CID 119487809
(2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 119370582
N-[3-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 25374945
(2S)-N-butyl-1-[3-[(2-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 92728373

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide (CID 50816019) is 1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is OYMZQDJSNVCHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-20-18(23)17-11-6-12-22(17)19(24)14-7-5-8-15(13-14)21-27(25,26)16-9-3-2-4-10-16/h2-5,7-10,13,17,21H,6,11-12H2,1H3,(H,20,23).
What are the key properties of 1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide?
1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 50816019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).