4-hydroxy-N-(2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide

C12H17N3O4S — CID 60946063

IUPAC4-hydroxy-N-(2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide
SMILESCc1c(NC(=O)C2CC(O)CN2)cccc1S(N)(=O)=O
InChIInChI=1S/C12H17N3O4S/c1-7-9(3-2-4-11(7)20(13,18)19)15-12(17)10-5-8(16)6-14-10/h2-4,8,10,14,16H,5-6H2,1H3,(H,15,17)(H2,13,18,19)
InChIKeyOPFSVUDSENRAQR-UHFFFAOYSA-N
MW299.35 g/mol
LogP-0.70
Rot. Bonds3

About 4-hydroxy-N-(2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide

4-hydroxy-N-(2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide (PubChem CID 60946063) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-hydroxy-N-(2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide
PubChem CID60946063
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name4-hydroxy-N-(2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide
SMILESCc1c(NC(=O)C2CC(O)CN2)cccc1S(N)(=O)=O
InChIInChI=1S/C12H17N3O4S/c1-7-9(3-2-4-11(7)20(13,18)19)15-12(17)10-5-8(16)6-14-10/h2-4,8,10,14,16H,5-6H2,1H3,(H,15,17)(H2,13,18,19)
InChIKeyOPFSVUDSENRAQR-UHFFFAOYSA-N
XLogP-0.70
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119671777
N-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78983267
N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide
CID 60945170
N-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120810
N-(2,5-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120806
2-amino-N-(2-methyl-3-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 64823773
5-methyl-N-(2-methyl-3-sulfamoylphenyl)oxolane-2-carboxamide
CID 80973976
4-hydroxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 120607826
4-hydroxy-N-isoquinolin-5-ylpyrrolidine-2-carboxamide
CID 43702244
4-iodo-N-(2-methyl-3-sulfamoylphenyl)benzamide
CID 61034623
4-hydroxy-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 102695323
N-(2-methyl-3-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61365433

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-(2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide (CID 60946063) is 4-hydroxy-N-(2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-(2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide is Cc1c(NC(=O)C2CC(O)CN2)cccc1S(N)(=O)=O.
What is the InChIKey of 4-hydroxy-N-(2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is OPFSVUDSENRAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-7-9(3-2-4-11(7)20(13,18)19)15-12(17)10-5-8(16)6-14-10/h2-4,8,10,14,16H,5-6H2,1H3,(H,15,17)(H2,13,18,19).
What are the key properties of 4-hydroxy-N-(2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide?
4-hydroxy-N-(2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 299.35 g/mol, XLogP of -0.70, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 60946063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).