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

C19H26Cl2N2O3S — CID 11604449

IUPAC2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-ethylsulfonylpiperidin-4-yl]methyl]benzamide
SMILESCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1
InChIInChI=1S/C19H26Cl2N2O3S/c1-2-27(25,26)23-9-7-19(8-10-23,12-14-3-4-14)13-22-18(24)16-6-5-15(20)11-17(16)21/h5-6,11,14H,2-4,7-10,12-13H2,1H3,(H,22,24)
InChIKeyVUDLFYRSWDHZSU-UHFFFAOYSA-N
MW433.40 g/mol
LogP3.96
Rot. Bonds7

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

2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-ethylsulfonylpiperidin-4-yl]methyl]benzamide (PubChem CID 11604449) has the molecular formula C19H26Cl2N2O3S and a molecular weight of 433.40 g/mol. Its IUPAC name is 2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-ethylsulfonylpiperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-ethylsulfonylpiperidin-4-yl]methyl]benzamide
PubChem CID11604449
Molecular FormulaC19H26Cl2N2O3S
Molecular Weight433.40 g/mol
Exact Mass432.10
IUPAC Name2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-ethylsulfonylpiperidin-4-yl]methyl]benzamide
SMILESCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1
InChIInChI=1S/C19H26Cl2N2O3S/c1-2-27(25,26)23-9-7-19(8-10-23,12-14-3-4-14)13-22-18(24)16-6-5-15(20)11-17(16)21/h5-6,11,14H,2-4,7-10,12-13H2,1H3,(H,22,24)
InChIKeyVUDLFYRSWDHZSU-UHFFFAOYSA-N
XLogP3.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-ethylsulfonylpiperidin-4-yl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-ethylsulfonylpiperidin-4-yl]methyl]benzamide (CID 11604449) is 2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-ethylsulfonylpiperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-ethylsulfonylpiperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-ethylsulfonylpiperidin-4-yl]methyl]benzamide is CCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1.
What is the InChIKey of 2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-ethylsulfonylpiperidin-4-yl]methyl]benzamide?
The InChIKey is VUDLFYRSWDHZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N2O3S/c1-2-27(25,26)23-9-7-19(8-10-23,12-14-3-4-14)13-22-18(24)16-6-5-15(20)11-17(16)21/h5-6,11,14H,2-4,7-10,12-13H2,1H3,(H,22,24).
What are the key properties of 2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-ethylsulfonylpiperidin-4-yl]methyl]benzamide?
2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-ethylsulfonylpiperidin-4-yl]methyl]benzamide has a molecular weight of 433.40 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[4-(cyclopropylmethyl)-1-ethylsulfonylpiperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 11604449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).