N-(2,3-dimethyl-5-sulfamoylphenyl)-5-oxopyrrolidine-2-carboxamide

C13H17N3O4S — CID 60651450

IUPACN-(2,3-dimethyl-5-sulfamoylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)C2CCC(=O)N2)c1C
InChIInChI=1S/C13H17N3O4S/c1-7-5-9(21(14,19)20)6-11(8(7)2)16-13(18)10-3-4-12(17)15-10/h5-6,10H,3-4H2,1-2H3,(H,15,17)(H,16,18)(H2,14,19,20)
InChIKeyLMQKSXKEQSFEIV-UHFFFAOYSA-N
MW311.36 g/mol
LogP0.17
Rot. Bonds3

About N-(2,3-dimethyl-5-sulfamoylphenyl)-5-oxopyrrolidine-2-carboxamide

N-(2,3-dimethyl-5-sulfamoylphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 60651450) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-sulfamoylphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-sulfamoylphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID60651450
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC NameN-(2,3-dimethyl-5-sulfamoylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)C2CCC(=O)N2)c1C
InChIInChI=1S/C13H17N3O4S/c1-7-5-9(21(14,19)20)6-11(8(7)2)16-13(18)10-3-4-12(17)15-10/h5-6,10H,3-4H2,1-2H3,(H,15,17)(H,16,18)(H2,14,19,20)
InChIKeyLMQKSXKEQSFEIV-UHFFFAOYSA-N
XLogP0.17
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-5-oxopyrrolidine-2-carboxamide (CID 60651450) is N-(2,3-dimethyl-5-sulfamoylphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethyl-5-sulfamoylphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,3-dimethyl-5-sulfamoylphenyl)-5-oxopyrrolidine-2-carboxamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)C2CCC(=O)N2)c1C.
What is the InChIKey of N-(2,3-dimethyl-5-sulfamoylphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is LMQKSXKEQSFEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-7-5-9(21(14,19)20)6-11(8(7)2)16-13(18)10-3-4-12(17)15-10/h5-6,10H,3-4H2,1-2H3,(H,15,17)(H,16,18)(H2,14,19,20).
What are the key properties of N-(2,3-dimethyl-5-sulfamoylphenyl)-5-oxopyrrolidine-2-carboxamide?
N-(2,3-dimethyl-5-sulfamoylphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-sulfamoylphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 60651450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).