4-methoxy-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

C19H24N2O5S2 — CID 1303250

IUPAC4-methoxy-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C
InChIInChI=1S/C19H24N2O5S2/c1-15-14-18(10-11-19(15)26-2)27(22,23)20-16-6-8-17(9-7-16)28(24,25)21-12-4-3-5-13-21/h6-11,14,20H,3-5,12-13H2,1-2H3
InChIKeyMWETYYAIQGBUMS-UHFFFAOYSA-N
MW424.54 g/mol
LogP2.98
Rot. Bonds6

About 4-methoxy-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

4-methoxy-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 1303250) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
PubChem CID1303250
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC Name4-methoxy-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C
InChIInChI=1S/C19H24N2O5S2/c1-15-14-18(10-11-19(15)26-2)27(22,23)20-16-6-8-17(9-7-16)28(24,25)21-12-4-3-5-13-21/h6-11,14,20H,3-5,12-13H2,1-2H3
InChIKeyMWETYYAIQGBUMS-UHFFFAOYSA-N
XLogP2.98
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (CID 1303250) is 4-methoxy-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is MWETYYAIQGBUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-15-14-18(10-11-19(15)26-2)27(22,23)20-16-6-8-17(9-7-16)28(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 4-methoxy-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
4-methoxy-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 424.54 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 1303250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).