2-methyl-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide

C17H17N3O5S — CID 7635945

IUPAC2-methyl-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H17N3O5S/c1-12-7-8-15(20(22)23)11-16(12)26(24,25)18-13-4-2-5-14(10-13)19-9-3-6-17(19)21/h2,4-5,7-8,10-11,18H,3,6,9H2,1H3
InChIKeyWSMIYOVWVMMVTM-UHFFFAOYSA-N
MW375.41 g/mol
LogP2.83
Rot. Bonds5

About 2-methyl-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide

2-methyl-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 7635945) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is 2-methyl-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
PubChem CID7635945
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC Name2-methyl-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H17N3O5S/c1-12-7-8-15(20(22)23)11-16(12)26(24,25)18-13-4-2-5-14(10-13)19-9-3-6-17(19)21/h2,4-5,7-8,10-11,18H,3,6,9H2,1H3
InChIKeyWSMIYOVWVMMVTM-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'}

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Related Compounds

2-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitrobenzenesulfonamide
CID 7635830
4-chloro-2,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635926
4-methoxy-2,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635954
2-methyl-5-nitro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 26540010
2-methyl-5-nitro-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
CID 55700067
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635918
2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841870
2-methyl-5-nitro-N-[4-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 21173747
4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 49187272
2-methyl-N-(4-methyl-3-nitrophenyl)-5-nitrobenzenesulfonamide
CID 2796554
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7635947
2-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636299

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-methyl-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide (CID 7635945) is 2-methyl-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 2-methyl-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is WSMIYOVWVMMVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-12-7-8-15(20(22)23)11-16(12)26(24,25)18-13-4-2-5-14(10-13)19-9-3-6-17(19)21/h2,4-5,7-8,10-11,18H,3,6,9H2,1H3.
What are the key properties of 2-methyl-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide?
2-methyl-5-nitro-N-[3-(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 2-methyl-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7635945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).