3-methyl-N-(2-methylpropyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C15H22N2O3S — CID 46773064

IUPAC3-methyl-N-(2-methylpropyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)C)ccc1N1CCCC1=O
InChIInChI=1S/C15H22N2O3S/c1-11(2)10-16-21(19,20)13-6-7-14(12(3)9-13)17-8-4-5-15(17)18/h6-7,9,11,16H,4-5,8,10H2,1-3H3
InChIKeyORYHHFVCBGSZSX-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.06
Rot. Bonds5

About 3-methyl-N-(2-methylpropyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

3-methyl-N-(2-methylpropyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 46773064) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID46773064
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name3-methyl-N-(2-methylpropyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C)C)ccc1N1CCCC1=O
InChIInChI=1S/C15H22N2O3S/c1-11(2)10-16-21(19,20)13-6-7-14(12(3)9-13)17-8-4-5-15(17)18/h6-7,9,11,16H,4-5,8,10H2,1-3H3
InChIKeyORYHHFVCBGSZSX-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94019233
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-pentan-3-ylbenzenesulfonamide
CID 53284182
N-(2-tert-butylsulfanylethyl)-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 28566256
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 94027782
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 133145245
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99954159
3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 133165605
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 53284171
methyl 4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoate
CID 92686187
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92681306
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99131234
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 92682941

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 46773064) is 3-methyl-N-(2-methylpropyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCC(C)C)ccc1N1CCCC1=O.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is ORYHHFVCBGSZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(2)10-16-21(19,20)13-6-7-14(12(3)9-13)17-8-4-5-15(17)18/h6-7,9,11,16H,4-5,8,10H2,1-3H3.
What are the key properties of 3-methyl-N-(2-methylpropyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
3-methyl-N-(2-methylpropyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 46773064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).