4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide

C13H18N2O3S — CID 43235186

IUPAC4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCCN1C(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H18N2O3S/c1-10-4-2-3-9-15(10)13(16)11-5-7-12(8-6-11)19(14,17)18/h5-8,10H,2-4,9H2,1H3,(H2,14,17,18)
InChIKeyJAXDJDALJUJYCV-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.35
Rot. Bonds2

About 4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide

4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 43235186) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID43235186
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCCN1C(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H18N2O3S/c1-10-4-2-3-9-15(10)13(16)11-5-7-12(8-6-11)19(14,17)18/h5-8,10H,2-4,9H2,1H3,(H2,14,17,18)
InChIKeyJAXDJDALJUJYCV-UHFFFAOYSA-N
XLogP1.35
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 43235186) is 4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide is CC1CCCCN1C(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is JAXDJDALJUJYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-10-4-2-3-9-15(10)13(16)11-5-7-12(8-6-11)19(14,17)18/h5-8,10H,2-4,9H2,1H3,(H2,14,17,18).
What are the key properties of 4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide?
4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 282.36 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 43235186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).