2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide

C20H26N2O6S2 — CID 19684541

IUPAC2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3C)cc2)c1
InChIInChI=1S/C20H26N2O6S2/c1-15-6-4-5-13-22(15)30(25,26)18-10-7-16(8-11-18)21-29(23,24)20-14-17(27-2)9-12-19(20)28-3/h7-12,14-15,21H,4-6,13H2,1-3H3
InChIKeyUJQZSVBNAYTMJS-UHFFFAOYSA-N
MW454.57 g/mol
LogP3.07
Rot. Bonds7

About 2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide

2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide (PubChem CID 19684541) has the molecular formula C20H26N2O6S2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
PubChem CID19684541
Molecular FormulaC20H26N2O6S2
Molecular Weight454.57 g/mol
Exact Mass454.12
IUPAC Name2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3C)cc2)c1
InChIInChI=1S/C20H26N2O6S2/c1-15-6-4-5-13-22(15)30(25,26)18-10-7-16(8-11-18)21-29(23,24)20-14-17(27-2)9-12-19(20)28-3/h7-12,14-15,21H,4-6,13H2,1-3H3
InChIKeyUJQZSVBNAYTMJS-UHFFFAOYSA-N
XLogP3.07
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide 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

3,4-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684542
(2R)-1-[4-[4-methoxy-2-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonyl-2-methylpiperidine
CID 124739758
1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine
CID 19682578
2,5-difluoro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684545
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 98397485
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112980039
2,3,5,6-tetramethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 17301180
N-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 110604225
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 4851871
N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 7941112
2,5-dimethoxy-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzenesulfonamide
CID 94025297

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide (CID 19684541) is 2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3C)cc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide?
The InChIKey is UJQZSVBNAYTMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S2/c1-15-6-4-5-13-22(15)30(25,26)18-10-7-16(8-11-18)21-29(23,24)20-14-17(27-2)9-12-19(20)28-3/h7-12,14-15,21H,4-6,13H2,1-3H3.
What are the key properties of 2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide?
2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide has a molecular weight of 454.57 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide is sourced from PubChem (CID 19684541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).