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

C21H29Cl2NO3S — CID 15951943

IUPAC2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]benzamide
SMILESCCCS(=O)(=O)C1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1
InChIInChI=1S/C21H29Cl2NO3S/c1-2-11-28(26,27)17-7-9-21(10-8-17,13-15-3-4-15)14-24-20(25)18-6-5-16(22)12-19(18)23/h5-6,12,15,17H,2-4,7-11,13-14H2,1H3,(H,24,25)
InChIKeyHOGGFFSEZSUTOO-UHFFFAOYSA-N
MW446.44 g/mol
LogP5.28
Rot. Bonds8

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

2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]benzamide (PubChem CID 15951943) has the molecular formula C21H29Cl2NO3S and a molecular weight of 446.44 g/mol. Its IUPAC name is 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]benzamide
PubChem CID15951943
Molecular FormulaC21H29Cl2NO3S
Molecular Weight446.44 g/mol
Exact Mass445.12
IUPAC Name2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]benzamide
SMILESCCCS(=O)(=O)C1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1
InChIInChI=1S/C21H29Cl2NO3S/c1-2-11-28(26,27)17-7-9-21(10-8-17,13-15-3-4-15)14-24-20(25)18-6-5-16(22)12-19(18)23/h5-6,12,15,17H,2-4,7-11,13-14H2,1H3,(H,24,25)
InChIKeyHOGGFFSEZSUTOO-UHFFFAOYSA-N
XLogP5.28
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.44
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[[1-(cyclopropylmethyl)cyclobutyl]methyl]benzamide
CID 143467111
2-chloro-N-[[1-(cyclopropylmethyl)-3-(propylsulfonylamino)cyclobutyl]methyl]-4-methylbenzamide
CID 59471582
2,5-dichloro-N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]thiophene-3-carboxamide
CID 15952327
2-chloro-N-[[4-(cyclopropylmethyl)-1-methylpiperidin-4-yl]methyl]-4-methylbenzamide;ethynol;propane
CID 143210765
2,4-dichloro-N-[[1-ethylsulfonyl-4-(2-methylpropyl)piperidin-4-yl]methyl]benzamide
CID 16678874
2,4-dichloro-N-[[4-(4-propylsulfonylpiperazin-1-yl)oxan-4-yl]methyl]benzamide
CID 71719907
4-chloro-N-[(1-ethylcyclopropyl)methyl]-2-hydroxybenzamide
CID 113251997
2,4-dichloro-N-[2-cyclopropyl-1-[4-(cyclopropylmethylsulfonyl)cyclohexyl]ethyl]benzamide
CID 69160804
2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide
CID 114189535
2,4-dichloro-N-nonylbenzamide
CID 3596264
2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119509137
2-chloro-N-[[1-ethylsulfonyl-4-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3,6-difluorobenzamide
CID 16679274

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]benzamide (CID 15951943) is 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]benzamide is CCCS(=O)(=O)C1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1.
What is the InChIKey of 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]benzamide?
The InChIKey is HOGGFFSEZSUTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29Cl2NO3S/c1-2-11-28(26,27)17-7-9-21(10-8-17,13-15-3-4-15)14-24-20(25)18-6-5-16(22)12-19(18)23/h5-6,12,15,17H,2-4,7-11,13-14H2,1H3,(H,24,25).
What are the key properties of 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]benzamide?
2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]benzamide has a molecular weight of 446.44 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]benzamide is sourced from PubChem (CID 15951943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).