3,4-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide

C20H26N2O6S2 — CID 19684542

IUPAC3,4-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3C)cc2)cc1OC
InChIInChI=1S/C20H26N2O6S2/c1-15-6-4-5-13-22(15)30(25,26)17-9-7-16(8-10-17)21-29(23,24)18-11-12-19(27-2)20(14-18)28-3/h7-12,14-15,21H,4-6,13H2,1-3H3
InChIKeyPOZBGLRWDPKQEG-UHFFFAOYSA-N
MW454.57 g/mol
LogP3.07
Rot. Bonds7

About 3,4-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide

3,4-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide (PubChem CID 19684542) has the molecular formula C20H26N2O6S2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
PubChem CID19684542
Molecular FormulaC20H26N2O6S2
Molecular Weight454.57 g/mol
Exact Mass454.12
IUPAC Name3,4-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3C)cc2)cc1OC
InChIInChI=1S/C20H26N2O6S2/c1-15-6-4-5-13-22(15)30(25,26)17-9-7-16(8-10-17)21-29(23,24)18-11-12-19(27-2)20(14-18)28-3/h7-12,14-15,21H,4-6,13H2,1-3H3
InChIKeyPOZBGLRWDPKQEG-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

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Related Compounds

2,5-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684541
2,3,5,6-tetramethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 17301180
(2S)-1-(4-bromo-3-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 2239887
2,5-difluoro-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 19684545
3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
CID 90595972
1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrazole-4-sulfonamide
CID 19684559
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 98397485
(4aS,8aS)-1-(3,4-dimethoxyphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 11926545
methyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 787656
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 100512130
2-methoxy-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-4-methylsulfanylbenzamide
CID 41300075
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide (CID 19684542) is 3,4-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3C)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide?
The InChIKey is POZBGLRWDPKQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6S2/c1-15-6-4-5-13-22(15)30(25,26)17-9-7-16(8-10-17)21-29(23,24)18-11-12-19(27-2)20(14-18)28-3/h7-12,14-15,21H,4-6,13H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide?
3,4-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 3,4-dimethoxy-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]benzenesulfonamide is sourced from PubChem (CID 19684542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).