N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methylsulfonylbenzenesulfonamide

C17H24N2O5S2 — CID 131935678

IUPACN-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)NCC2CC(=O)N(C3CCCC3)C2)cc1
InChIInChI=1S/C17H24N2O5S2/c1-25(21,22)15-6-8-16(9-7-15)26(23,24)18-11-13-10-17(20)19(12-13)14-4-2-3-5-14/h6-9,13-14,18H,2-5,10-12H2,1H3
InChIKeyCDZDKNKIUCNIRC-UHFFFAOYSA-N
MW400.52 g/mol
LogP1.16
Rot. Bonds6

About N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methylsulfonylbenzenesulfonamide

N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methylsulfonylbenzenesulfonamide (PubChem CID 131935678) has the molecular formula C17H24N2O5S2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methylsulfonylbenzenesulfonamide
PubChem CID131935678
Molecular FormulaC17H24N2O5S2
Molecular Weight400.52 g/mol
Exact Mass400.11
IUPAC NameN-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)NCC2CC(=O)N(C3CCCC3)C2)cc1
InChIInChI=1S/C17H24N2O5S2/c1-25(21,22)15-6-8-16(9-7-15)26(23,24)18-11-13-10-17(20)19(12-13)14-4-2-3-5-14/h6-9,13-14,18H,2-5,10-12H2,1H3
InChIKeyCDZDKNKIUCNIRC-UHFFFAOYSA-N
XLogP1.16
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methylsulfonylbenzenesulfonamide (CID 131935678) is N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methylsulfonylbenzenesulfonamide is CS(=O)(=O)c1ccc(S(=O)(=O)NCC2CC(=O)N(C3CCCC3)C2)cc1.
What is the InChIKey of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methylsulfonylbenzenesulfonamide?
The InChIKey is CDZDKNKIUCNIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S2/c1-25(21,22)15-6-8-16(9-7-15)26(23,24)18-11-13-10-17(20)19(12-13)14-4-2-3-5-14/h6-9,13-14,18H,2-5,10-12H2,1H3.
What are the key properties of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methylsulfonylbenzenesulfonamide?
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methylsulfonylbenzenesulfonamide has a molecular weight of 400.52 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 131935678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).