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

C23H27N3O4S — CID 38009918

IUPAC3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1N1CCCC1=O
InChIInChI=1S/C23H27N3O4S/c1-17-16-18(11-12-21(17)26-15-7-10-22(26)27)31(29,30)24-20-9-4-3-8-19(20)23(28)25-13-5-2-6-14-25/h3-4,8-9,11-12,16,24H,2,5-7,10,13-15H2,1H3
InChIKeyXHJCPYXELAUGPP-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.55
Rot. Bonds5

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

3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 38009918) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID38009918
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1N1CCCC1=O
InChIInChI=1S/C23H27N3O4S/c1-17-16-18(11-12-21(17)26-15-7-10-22(26)27)31(29,30)24-20-9-4-3-8-19(20)23(28)25-13-5-2-6-14-25/h3-4,8-9,11-12,16,24H,2,5-7,10,13-15H2,1H3
InChIKeyXHJCPYXELAUGPP-UHFFFAOYSA-N
XLogP3.55
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 92672793
3-methyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92671612
N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 17492426
2-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43917168
3,4-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841739
2-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 46769247
N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
CID 1095030
N-(2-fluorophenyl)-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 8707607
N-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide
CID 100525119
methyl 4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoate
CID 92686187
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 133145245
2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 3976213

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide (CID 38009918) is 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1N1CCCC1=O.
What is the InChIKey of 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is XHJCPYXELAUGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-17-16-18(11-12-21(17)26-15-7-10-22(26)27)31(29,30)24-20-9-4-3-8-19(20)23(28)25-13-5-2-6-14-25/h3-4,8-9,11-12,16,24H,2,5-7,10,13-15H2,1H3.
What are the key properties of 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 441.55 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 38009918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).