2,4-dichloro-N-(1-cyclopropylpiperidin-4-yl)-5-(2-methylpropylsulfamoyl)benzamide

C19H27Cl2N3O3S — CID 78846793

IUPAC2,4-dichloro-N-(1-cyclopropylpiperidin-4-yl)-5-(2-methylpropylsulfamoyl)benzamide
SMILESCC(C)CNS(=O)(=O)c1cc(C(=O)NC2CCN(C3CC3)CC2)c(Cl)cc1Cl
InChIInChI=1S/C19H27Cl2N3O3S/c1-12(2)11-22-28(26,27)18-9-15(16(20)10-17(18)21)19(25)23-13-5-7-24(8-6-13)14-3-4-14/h9-10,12-14,22H,3-8,11H2,1-2H3,(H,23,25)
InChIKeyKOXFKNSYZYFPDI-UHFFFAOYSA-N
MW448.42 g/mol
LogP3.28
Rot. Bonds7

About 2,4-dichloro-N-(1-cyclopropylpiperidin-4-yl)-5-(2-methylpropylsulfamoyl)benzamide

2,4-dichloro-N-(1-cyclopropylpiperidin-4-yl)-5-(2-methylpropylsulfamoyl)benzamide (PubChem CID 78846793) has the molecular formula C19H27Cl2N3O3S and a molecular weight of 448.42 g/mol. Its IUPAC name is 2,4-dichloro-N-(1-cyclopropylpiperidin-4-yl)-5-(2-methylpropylsulfamoyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(1-cyclopropylpiperidin-4-yl)-5-(2-methylpropylsulfamoyl)benzamide
PubChem CID78846793
Molecular FormulaC19H27Cl2N3O3S
Molecular Weight448.42 g/mol
Exact Mass447.12
IUPAC Name2,4-dichloro-N-(1-cyclopropylpiperidin-4-yl)-5-(2-methylpropylsulfamoyl)benzamide
SMILESCC(C)CNS(=O)(=O)c1cc(C(=O)NC2CCN(C3CC3)CC2)c(Cl)cc1Cl
InChIInChI=1S/C19H27Cl2N3O3S/c1-12(2)11-22-28(26,27)18-9-15(16(20)10-17(18)21)19(25)23-13-5-7-24(8-6-13)14-3-4-14/h9-10,12-14,22H,3-8,11H2,1-2H3,(H,23,25)
InChIKeyKOXFKNSYZYFPDI-UHFFFAOYSA-N
XLogP3.28
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1-cyclopropylpiperidin-4-yl)-5-(2-methylpropylsulfamoyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(1-cyclopropylpiperidin-4-yl)-5-(2-methylpropylsulfamoyl)benzamide (CID 78846793) is 2,4-dichloro-N-(1-cyclopropylpiperidin-4-yl)-5-(2-methylpropylsulfamoyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(1-cyclopropylpiperidin-4-yl)-5-(2-methylpropylsulfamoyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(1-cyclopropylpiperidin-4-yl)-5-(2-methylpropylsulfamoyl)benzamide is CC(C)CNS(=O)(=O)c1cc(C(=O)NC2CCN(C3CC3)CC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(1-cyclopropylpiperidin-4-yl)-5-(2-methylpropylsulfamoyl)benzamide?
The InChIKey is KOXFKNSYZYFPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27Cl2N3O3S/c1-12(2)11-22-28(26,27)18-9-15(16(20)10-17(18)21)19(25)23-13-5-7-24(8-6-13)14-3-4-14/h9-10,12-14,22H,3-8,11H2,1-2H3,(H,23,25).
What are the key properties of 2,4-dichloro-N-(1-cyclopropylpiperidin-4-yl)-5-(2-methylpropylsulfamoyl)benzamide?
2,4-dichloro-N-(1-cyclopropylpiperidin-4-yl)-5-(2-methylpropylsulfamoyl)benzamide has a molecular weight of 448.42 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(1-cyclopropylpiperidin-4-yl)-5-(2-methylpropylsulfamoyl)benzamide is sourced from PubChem (CID 78846793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).