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

C20H22N2O4S — CID 155568445

IUPAC4-(4-acetyl-4-phenylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C20H22N2O4S/c1-15(23)20(17-5-3-2-4-6-17)11-13-22(14-12-20)19(24)16-7-9-18(10-8-16)27(21,25)26/h2-10H,11-14H2,1H3,(H2,21,25,26)
InChIKeyOAGFMYNXEMDIGA-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.10
Rot. Bonds4

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

4-(4-acetyl-4-phenylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 155568445) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-(4-acetyl-4-phenylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-acetyl-4-phenylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID155568445
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name4-(4-acetyl-4-phenylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C20H22N2O4S/c1-15(23)20(17-5-3-2-4-6-17)11-13-22(14-12-20)19(24)16-7-9-18(10-8-16)27(21,25)26/h2-10H,11-14H2,1H3,(H2,21,25,26)
InChIKeyOAGFMYNXEMDIGA-UHFFFAOYSA-N
XLogP2.10
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-4-phenylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-(4-acetyl-4-phenylpiperidine-1-carbonyl)benzenesulfonamide (CID 155568445) is 4-(4-acetyl-4-phenylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-acetyl-4-phenylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-(4-acetyl-4-phenylpiperidine-1-carbonyl)benzenesulfonamide is CC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-(4-acetyl-4-phenylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is OAGFMYNXEMDIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-15(23)20(17-5-3-2-4-6-17)11-13-22(14-12-20)19(24)16-7-9-18(10-8-16)27(21,25)26/h2-10H,11-14H2,1H3,(H2,21,25,26).
What are the key properties of 4-(4-acetyl-4-phenylpiperidine-1-carbonyl)benzenesulfonamide?
4-(4-acetyl-4-phenylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-4-phenylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 155568445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).