3,4-dimethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

C19H24N2O6S2 — CID 663081

IUPAC3,4-dimethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC
InChIInChI=1S/C19H24N2O6S2/c1-26-18-11-10-17(14-19(18)27-2)28(22,23)20-15-6-8-16(9-7-15)29(24,25)21-12-4-3-5-13-21/h6-11,14,20H,3-5,12-13H2,1-2H3
InChIKeyBHYVNMFOXJCMMI-UHFFFAOYSA-N
MW440.54 g/mol
LogP2.68
Rot. Bonds7

About 3,4-dimethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

3,4-dimethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 663081) has the molecular formula C19H24N2O6S2 and a molecular weight of 440.54 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
PubChem CID663081
Molecular FormulaC19H24N2O6S2
Molecular Weight440.54 g/mol
Exact Mass440.11
IUPAC Name3,4-dimethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC
InChIInChI=1S/C19H24N2O6S2/c1-26-18-11-10-17(14-19(18)27-2)28(22,23)20-15-6-8-16(9-7-15)29(24,25)21-12-4-3-5-13-21/h6-11,14,20H,3-5,12-13H2,1-2H3
InChIKeyBHYVNMFOXJCMMI-UHFFFAOYSA-N
XLogP2.68
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (CID 663081) is 3,4-dimethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is BHYVNMFOXJCMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S2/c1-26-18-11-10-17(14-19(18)27-2)28(22,23)20-15-6-8-16(9-7-15)29(24,25)21-12-4-3-5-13-21/h6-11,14,20H,3-5,12-13H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
3,4-dimethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 440.54 g/mol, XLogP of 2.68, 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-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 663081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).