N-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide

C12H15N3O4S — CID 78983267

IUPACN-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1c(NC(=O)C2CNC(=O)C2)cccc1S(N)(=O)=O
InChIInChI=1S/C12H15N3O4S/c1-7-9(3-2-4-10(7)20(13,18)19)15-12(17)8-5-11(16)14-6-8/h2-4,8H,5-6H2,1H3,(H,14,16)(H,15,17)(H2,13,18,19)
InChIKeyOMRDMOZDZKSTAO-UHFFFAOYSA-N
MW297.34 g/mol
LogP-0.28
Rot. Bonds3

About N-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 78983267) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID78983267
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC NameN-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1c(NC(=O)C2CNC(=O)C2)cccc1S(N)(=O)=O
InChIInChI=1S/C12H15N3O4S/c1-7-9(3-2-4-10(7)20(13,18)19)15-12(17)8-5-11(16)14-6-8/h2-4,8H,5-6H2,1H3,(H,14,16)(H,15,17)(H2,13,18,19)
InChIKeyOMRDMOZDZKSTAO-UHFFFAOYSA-N
XLogP-0.28
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide
CID 60945170
N-(4-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78983436
4-hydroxy-N-(2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide
CID 60946063
5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 78982828
N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981788
2-amino-N-(2-methyl-3-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 64823773
5-methyl-N-(2-methyl-3-sulfamoylphenyl)oxolane-2-carboxamide
CID 80973976
2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192341
N-(2-methyl-5-sulfamoylphenyl)-6-oxopiperidine-3-carboxamide
CID 76891188
tert-butyl N-(2-methyl-3-sulfamoylphenyl)carbamate
CID 65142606
N-[2-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 78982003
2-amino-3-[(6-oxopiperidin-3-yl)amino]benzenesulfonamide
CID 112674906

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 78983267) is N-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1c(NC(=O)C2CNC(=O)C2)cccc1S(N)(=O)=O.
What is the InChIKey of N-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OMRDMOZDZKSTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-7-9(3-2-4-10(7)20(13,18)19)15-12(17)8-5-11(16)14-6-8/h2-4,8H,5-6H2,1H3,(H,14,16)(H,15,17)(H2,13,18,19).
What are the key properties of N-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 297.34 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78983267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).