4-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide

C17H17N3O5S — CID 25358999

IUPAC4-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C17H17N3O5S/c1-12-8-9-13(11-16(12)20(22)23)26(24,25)18-14-5-2-3-6-15(14)19-10-4-7-17(19)21/h2-3,5-6,8-9,11,18H,4,7,10H2,1H3
InChIKeyKHDSXYMNTUYVHY-UHFFFAOYSA-N
MW375.41 g/mol
LogP2.83
Rot. Bonds5

About 4-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide

4-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 25358999) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is 4-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
PubChem CID25358999
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC Name4-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C17H17N3O5S/c1-12-8-9-13(11-16(12)20(22)23)26(24,25)18-14-5-2-3-6-15(14)19-10-4-7-17(19)21/h2-3,5-6,8-9,11,18H,4,7,10H2,1H3
InChIKeyKHDSXYMNTUYVHY-UHFFFAOYSA-N
XLogP2.83
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 52.83
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'}

Analyze 4-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841739
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 8841812
N-(2-iodophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 563423
3-methyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92671612
N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
CID 60675578
1-(2,4-dimethyl-5-nitrophenyl)pyrrolidin-2-one
CID 164903667
N-(2-chloro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 87933653
2-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26709787
2-methyl-5-methylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18166587
N-(2,3-dichlorophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 3322444
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 38009918
3-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]quinoline-8-sulfonamide
CID 31046790

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide (CID 25358999) is 4-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is KHDSXYMNTUYVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-12-8-9-13(11-16(12)20(22)23)26(24,25)18-14-5-2-3-6-15(14)19-10-4-7-17(19)21/h2-3,5-6,8-9,11,18H,4,7,10H2,1H3.
What are the key properties of 4-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
4-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 375.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 25358999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).