2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]benzamide

C21H26Cl2N4O3S — CID 11656017

IUPAC2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]benzamide
SMILESCn1cc(S(=O)(=O)N2CCC(CNC(=O)c3ccc(Cl)cc3Cl)(CC3CC3)CC2)cn1
InChIInChI=1S/C21H26Cl2N4O3S/c1-26-13-17(12-25-26)31(29,30)27-8-6-21(7-9-27,11-15-2-3-15)14-24-20(28)18-5-4-16(22)10-19(18)23/h4-5,10,12-13,15H,2-3,6-9,11,14H2,1H3,(H,24,28)
InChIKeyVGOWICADPNPHLJ-UHFFFAOYSA-N
MW485.44 g/mol
LogP3.73
Rot. Bonds7

About 2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]benzamide

2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]benzamide (PubChem CID 11656017) has the molecular formula C21H26Cl2N4O3S and a molecular weight of 485.44 g/mol. Its IUPAC name is 2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]benzamide
PubChem CID11656017
Molecular FormulaC21H26Cl2N4O3S
Molecular Weight485.44 g/mol
Exact Mass484.11
IUPAC Name2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]benzamide
SMILESCn1cc(S(=O)(=O)N2CCC(CNC(=O)c3ccc(Cl)cc3Cl)(CC3CC3)CC2)cn1
InChIInChI=1S/C21H26Cl2N4O3S/c1-26-13-17(12-25-26)31(29,30)27-8-6-21(7-9-27,11-15-2-3-15)14-24-20(28)18-5-4-16(22)10-19(18)23/h4-5,10,12-13,15H,2-3,6-9,11,14H2,1H3,(H,24,28)
InChIKeyVGOWICADPNPHLJ-UHFFFAOYSA-N
XLogP3.73
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]benzamide (CID 11656017) is 2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]benzamide is Cn1cc(S(=O)(=O)N2CCC(CNC(=O)c3ccc(Cl)cc3Cl)(CC3CC3)CC2)cn1.
What is the InChIKey of 2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]benzamide?
The InChIKey is VGOWICADPNPHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N4O3S/c1-26-13-17(12-25-26)31(29,30)27-8-6-21(7-9-27,11-15-2-3-15)14-24-20(28)18-5-4-16(22)10-19(18)23/h4-5,10,12-13,15H,2-3,6-9,11,14H2,1H3,(H,24,28).
What are the key properties of 2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]benzamide?
2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]benzamide has a molecular weight of 485.44 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 11656017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).