4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide

C18H20N2O3S — CID 135393499

IUPAC4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H20N2O3S/c19-24(22,23)17-8-6-16(7-9-17)18(21)20-12-10-15(11-13-20)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H2,19,22,23)
InChIKeyJYNGEJUBPGKEKV-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.35
Rot. Bonds3

About 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide

4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 135393499) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID135393499
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H20N2O3S/c19-24(22,23)17-8-6-16(7-9-17)18(21)20-12-10-15(11-13-20)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H2,19,22,23)
InChIKeyJYNGEJUBPGKEKV-UHFFFAOYSA-N
XLogP2.35
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide (CID 135393499) is 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is JYNGEJUBPGKEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c19-24(22,23)17-8-6-16(7-9-17)18(21)20-12-10-15(11-13-20)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H2,19,22,23).
What are the key properties of 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide?
4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 135393499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).