N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C18H26N2O3S — CID 18096700

IUPACN-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C18H26N2O3S/c21-18-9-6-14-20(18)16-10-12-17(13-11-16)24(22,23)19-15-7-4-2-1-3-5-8-15/h10-13,15,19H,1-9,14H2
InChIKeyHVZIRBWQXPFWPV-UHFFFAOYSA-N
MW350.48 g/mol
LogP3.20
Rot. Bonds4

About N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 18096700) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID18096700
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C18H26N2O3S/c21-18-9-6-14-20(18)16-10-12-17(13-11-16)24(22,23)19-15-7-4-2-1-3-5-8-15/h10-13,15,19H,1-9,14H2
InChIKeyHVZIRBWQXPFWPV-UHFFFAOYSA-N
XLogP3.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695508
N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 98137665
N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 146022850
N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 22695550
N-cyclotridecyl-4-(3-hydroxy-2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 146711957
N-cyclopentyl-2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 47081376
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-cyclopentyloxy-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110666979
N-(2-cyclohexylsulfanylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92685610
N-(dicyclopropylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 31847318
N-cyclohexyl-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110407179
N-cycloheptyl-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide
CID 17139394

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 18096700) is N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is O=C1CCCN1c1ccc(S(=O)(=O)NC2CCCCCCC2)cc1.
What is the InChIKey of N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is HVZIRBWQXPFWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c21-18-9-6-14-20(18)16-10-12-17(13-11-16)24(22,23)19-15-7-4-2-1-3-5-8-15/h10-13,15,19H,1-9,14H2.
What are the key properties of N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 350.48 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 18096700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).