N-[3-chloro-4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide

C12H14ClN3O4S — CID 78982696

IUPACN-[3-chloro-4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)C2CNC(=O)C2)cc1Cl
InChIInChI=1S/C12H14ClN3O4S/c1-21(19,20)16-10-3-2-8(5-9(10)13)15-12(18)7-4-11(17)14-6-7/h2-3,5,7,16H,4,6H2,1H3,(H,14,17)(H,15,18)
InChIKeyQDWLVWOGWISQEL-UHFFFAOYSA-N
MW331.78 g/mol
LogP0.79
Rot. Bonds4

About N-[3-chloro-4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide

N-[3-chloro-4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78982696) has the molecular formula C12H14ClN3O4S and a molecular weight of 331.78 g/mol. Its IUPAC name is N-[3-chloro-4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78982696
Molecular FormulaC12H14ClN3O4S
Molecular Weight331.78 g/mol
Exact Mass331.04
IUPAC NameN-[3-chloro-4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC(=O)C2CNC(=O)C2)cc1Cl
InChIInChI=1S/C12H14ClN3O4S/c1-21(19,20)16-10-3-2-8(5-9(10)13)15-12(18)7-4-11(17)14-6-7/h2-3,5,7,16H,4,6H2,1H3,(H,14,17)(H,15,18)
InChIKeyQDWLVWOGWISQEL-UHFFFAOYSA-N
XLogP0.79
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 66008946
(2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 104900746
N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43711061
N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981588
N-(4-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78983436
5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 78981558
N-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide
CID 110682147
N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 81470239
N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 115338810
N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982525
5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 78982828
N-(2-chloro-4,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982206

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 78982696) is N-[3-chloro-4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide is CS(=O)(=O)Nc1ccc(NC(=O)C2CNC(=O)C2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QDWLVWOGWISQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O4S/c1-21(19,20)16-10-3-2-8(5-9(10)13)15-12(18)7-4-11(17)14-6-7/h2-3,5,7,16H,4,6H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-[3-chloro-4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide?
N-[3-chloro-4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 331.78 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78982696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).