4-ethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide

C20H24N2O3S — CID 7636338

IUPAC4-ethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1
InChIInChI=1S/C20H24N2O3S/c1-3-16-8-11-18(12-9-16)26(24,25)21-17-10-7-15(2)19(14-17)22-13-5-4-6-20(22)23/h7-12,14,21H,3-6,13H2,1-2H3
InChIKeyKDDUSDFQJRTXTO-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.88
Rot. Bonds5

About 4-ethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide

4-ethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 7636338) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-ethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
PubChem CID7636338
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name4-ethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1
InChIInChI=1S/C20H24N2O3S/c1-3-16-8-11-18(12-9-16)26(24,25)21-17-10-7-15(2)19(14-17)22-13-5-4-6-20(22)23/h7-12,14,21H,3-6,13H2,1-2H3
InChIKeyKDDUSDFQJRTXTO-UHFFFAOYSA-N
XLogP3.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide (CID 7636338) is 4-ethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(C)c(N3CCCCC3=O)c2)cc1.
What is the InChIKey of 4-ethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is KDDUSDFQJRTXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-3-16-8-11-18(12-9-16)26(24,25)21-17-10-7-15(2)19(14-17)22-13-5-4-6-20(22)23/h7-12,14,21H,3-6,13H2,1-2H3.
What are the key properties of 4-ethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide?
4-ethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7636338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).