1-(5-chloro-2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide

C11H12ClN3O5S — CID 168717595

IUPAC1-(5-chloro-2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C11H12ClN3O5S/c1-6-2-10(15(17)18)8(12)4-9(6)14-5-7(3-11(14)16)21(13,19)20/h2,4,7H,3,5H2,1H3,(H2,13,19,20)
InChIKeyZKQITAKMCQTJBU-UHFFFAOYSA-N
MW333.75 g/mol
LogP0.95
Rot. Bonds3

About 1-(5-chloro-2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide

1-(5-chloro-2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717595) has the molecular formula C11H12ClN3O5S and a molecular weight of 333.75 g/mol. Its IUPAC name is 1-(5-chloro-2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(5-chloro-2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717595
Molecular FormulaC11H12ClN3O5S
Molecular Weight333.75 g/mol
Exact Mass333.02
IUPAC Name1-(5-chloro-2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C11H12ClN3O5S/c1-6-2-10(15(17)18)8(12)4-9(6)14-5-7(3-11(14)16)21(13,19)20/h2,4,7H,3,5H2,1H3,(H2,13,19,20)
InChIKeyZKQITAKMCQTJBU-UHFFFAOYSA-N
XLogP0.95
TPSA123.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711652
1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717594
1-(4-bromo-5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717371
1-(2-chloro-3-hydroxy-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717608
1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717358
1-(3,5-dichloro-4-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717575
1-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717723
1-(4-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717628
1-(2-chloro-5-nitropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719060
1-(4-bromo-5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715261
2-nitro-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168718770
1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717383

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(5-chloro-2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168717595) is 1-(5-chloro-2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(5-chloro-2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(5-chloro-2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide is Cc1cc([N+](=O)[O-])c(Cl)cc1N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 1-(5-chloro-2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is ZKQITAKMCQTJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O5S/c1-6-2-10(15(17)18)8(12)4-9(6)14-5-7(3-11(14)16)21(13,19)20/h2,4,7H,3,5H2,1H3,(H2,13,19,20).
What are the key properties of 1-(5-chloro-2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(5-chloro-2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 333.75 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).