4-(2,6-dimethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide

C19H24N2O4S — CID 24793493

IUPAC4-(2,6-dimethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCC1CCCC(C)N1C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H24N2O4S/c1-14-5-3-6-15(2)21(14)19(22)16-8-10-18(11-9-16)26(23,24)20-13-17-7-4-12-25-17/h4,7-12,14-15,20H,3,5-6,13H2,1-2H3
InChIKeyHTWYQVHORCWRNO-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.16
Rot. Bonds5

About 4-(2,6-dimethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide

4-(2,6-dimethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 24793493) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-(2,6-dimethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,6-dimethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID24793493
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name4-(2,6-dimethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCC1CCCC(C)N1C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H24N2O4S/c1-14-5-3-6-15(2)21(14)19(22)16-8-10-18(11-9-16)26(23,24)20-13-17-7-4-12-25-17/h4,7-12,14-15,20H,3,5-6,13H2,1-2H3
InChIKeyHTWYQVHORCWRNO-UHFFFAOYSA-N
XLogP3.16
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(2,6-dimethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide (CID 24793493) is 4-(2,6-dimethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,6-dimethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(2,6-dimethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide is CC1CCCC(C)N1C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-(2,6-dimethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is HTWYQVHORCWRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-14-5-3-6-15(2)21(14)19(22)16-8-10-18(11-9-16)26(23,24)20-13-17-7-4-12-25-17/h4,7-12,14-15,20H,3,5-6,13H2,1-2H3.
What are the key properties of 4-(2,6-dimethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide?
4-(2,6-dimethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 24793493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).