N-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C16H22N2O3S — CID 47081376

IUPACN-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1cc(N2CCCC2=O)ccc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C16H22N2O3S/c1-12-11-14(18-10-4-7-16(18)19)8-9-15(12)22(20,21)17-13-5-2-3-6-13/h8-9,11,13,17H,2-7,10H2,1H3
InChIKeyOQRRITMXKFVJCI-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.34
Rot. Bonds4

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

N-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 47081376) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID47081376
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1cc(N2CCCC2=O)ccc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C16H22N2O3S/c1-12-11-14(18-10-4-7-16(18)19)8-9-15(12)22(20,21)17-13-5-2-3-6-13/h8-9,11,13,17H,2-7,10H2,1H3
InChIKeyOQRRITMXKFVJCI-UHFFFAOYSA-N
XLogP2.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 52508786
N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-2-methyl-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 98137630
N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 18096700
N-cyclopropyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695508
N-methyl-1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-2-carboxamide
CID 51126448
N-(2-ethoxyphenyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 86848405
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945
2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 51126451
methyl (2S)-3-hydroxy-2-[[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate
CID 75443856
(2,3,6-trimethylphenyl) 2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonate
CID 60591526
N-(2-chloro-4-methoxyphenyl)-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 86858451
N-(1-cyclopentylpiperidin-4-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 110752098

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 47081376) is N-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is OQRRITMXKFVJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-12-11-14(18-10-4-7-16(18)19)8-9-15(12)22(20,21)17-13-5-2-3-6-13/h8-9,11,13,17H,2-7,10H2,1H3.
What are the key properties of N-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 322.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 47081376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).