N-[2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]propane-2-sulfonamide

About N-[2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]propane-2-sulfonamide

N-[2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]propane-2-sulfonamide (PubChem CID 76834468) has the molecular formula C29H36Cl2N2O3S and a molecular weight of 563.59 g/mol. Its IUPAC name is N-[2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]propane-2-sulfonamide.

Molecular Properties

Compound Name	N-[2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]propane-2-sulfonamide
PubChem CID	76834468
Molecular Formula	C29H36Cl2N2O3S
Molecular Weight	563.59 g/mol
Exact Mass	562.18
IUPAC Name	N-[2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]propane-2-sulfonamide
SMILES	C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CNS(=O)(=O)C(C)C)C2CC2)C1=O
InChI	InChI=1S/C29H36Cl2N2O3S/c1-5-15-29(4)17-25(22-7-6-8-24(31)16-22)27(21-11-13-23(30)14-12-21)33(28(29)34)26(20-9-10-20)18-32-37(35,36)19(2)3/h5-8,11-14,16,19-20,25-27,32H,1,9-10,15,17-18H2,2-4H3
InChIKey	JHHUOLJZGOBHAO-UHFFFAOYSA-N
XLogP	6.74
TPSA	66.48 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	10
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.59
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]propane-2-sulfonamide?

The IUPAC name of N-[2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]propane-2-sulfonamide (CID 76834468) is N-[2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]propane-2-sulfonamide.

What is the SMILES notation for N-[2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]propane-2-sulfonamide?

The canonical SMILES for N-[2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]propane-2-sulfonamide is C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CNS(=O)(=O)C(C)C)C2CC2)C1=O.

What is the InChIKey of N-[2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]propane-2-sulfonamide?

The InChIKey is JHHUOLJZGOBHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36Cl2N2O3S/c1-5-15-29(4)17-25(22-7-6-8-24(31)16-22)27(21-11-13-23(30)14-12-21)33(28(29)34)26(20-9-10-20)18-32-37(35,36)19(2)3/h5-8,11-14,16,19-20,25-27,32H,1,9-10,15,17-18H2,2-4H3.

What are the key properties of N-[2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]propane-2-sulfonamide?

N-[2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]propane-2-sulfonamide has a molecular weight of 563.59 g/mol, XLogP of 6.74, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-prop-2-enylpiperidin-1-yl]-2-cyclopropylethyl]propane-2-sulfonamide is sourced from PubChem (CID 76834468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).