[4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone

C20H23NO5S — CID 90589371

IUPAC[4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C20H23NO5S/c1-25-15-8-9-18(19(14-15)26-2)20(22)21-12-10-17(11-13-21)27(23,24)16-6-4-3-5-7-16/h3-9,14,17H,10-13H2,1-2H3
InChIKeyFCAHMMOBOOUDMQ-UHFFFAOYSA-N
MW389.47 g/mol
LogP2.78
Rot. Bonds5

About [4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone

[4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone (PubChem CID 90589371) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
PubChem CID90589371
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name[4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C20H23NO5S/c1-25-15-8-9-18(19(14-15)26-2)20(22)21-12-10-17(11-13-21)27(23,24)16-6-4-3-5-7-16/h3-9,14,17H,10-13H2,1-2H3
InChIKeyFCAHMMOBOOUDMQ-UHFFFAOYSA-N
XLogP2.78
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(2-bromo-5-methoxyphenyl)methanone
CID 97354905
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
(2,4-dimethoxyphenyl)-[4-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]piperidin-1-yl]methanone
CID 22083140
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673
3-[4-(4-methoxyphenyl)sulfonylpiperidine-1-carbonyl]chromen-2-one
CID 90591754
[4-[4-(2,4-dichlorophenyl)phenyl]sulfonylpiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 24731014
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90589407
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 62063554
(2,4-dimethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544370
4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 90589401
(3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591909

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone (CID 90589371) is [4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)c(OC)c1.
What is the InChIKey of [4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone?
The InChIKey is FCAHMMOBOOUDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-25-15-8-9-18(19(14-15)26-2)20(22)21-12-10-17(11-13-21)27(23,24)16-6-4-3-5-7-16/h3-9,14,17H,10-13H2,1-2H3.
What are the key properties of [4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone?
[4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone has a molecular weight of 389.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 90589371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).