1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-methoxyanilino)ethanone

C19H23N3O4S — CID 2494882

IUPAC1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-methoxyanilino)ethanone
SMILESCOc1ccccc1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H23N3O4S/c1-26-18-10-6-5-9-17(18)20-15-19(23)21-11-13-22(14-12-21)27(24,25)16-7-3-2-4-8-16/h2-10,20H,11-15H2,1H3
InChIKeyNKKMKQFNZQDFSG-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.64
Rot. Bonds6

About 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-methoxyanilino)ethanone

1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-methoxyanilino)ethanone (PubChem CID 2494882) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-methoxyanilino)ethanone.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-methoxyanilino)ethanone
PubChem CID2494882
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-methoxyanilino)ethanone
SMILESCOc1ccccc1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H23N3O4S/c1-26-18-10-6-5-9-17(18)20-15-19(23)21-11-13-22(14-12-21)27(24,25)16-7-3-2-4-8-16/h2-10,20H,11-15H2,1H3
InChIKeyNKKMKQFNZQDFSG-UHFFFAOYSA-N
XLogP1.64
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-methoxyanilino)ethanone?
The IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-methoxyanilino)ethanone (CID 2494882) is 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-methoxyanilino)ethanone.
What is the SMILES notation for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-methoxyanilino)ethanone?
The canonical SMILES for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-methoxyanilino)ethanone is COc1ccccc1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-methoxyanilino)ethanone?
The InChIKey is NKKMKQFNZQDFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-26-18-10-6-5-9-17(18)20-15-19(23)21-11-13-22(14-12-21)27(24,25)16-7-3-2-4-8-16/h2-10,20H,11-15H2,1H3.
What are the key properties of 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-methoxyanilino)ethanone?
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-methoxyanilino)ethanone has a molecular weight of 389.48 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2-methoxyanilino)ethanone is sourced from PubChem (CID 2494882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).