2,4-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide

C21H31Cl2N3O3S — CID 54764946

IUPAC2,4-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
SMILESCCCS(=O)(=O)N1CCN(C2(CNC(=O)c3ccc(Cl)cc3Cl)CCCCC2)CC1
InChIInChI=1S/C21H31Cl2N3O3S/c1-2-14-30(28,29)26-12-10-25(11-13-26)21(8-4-3-5-9-21)16-24-20(27)18-7-6-17(22)15-19(18)23/h6-7,15H,2-5,8-14,16H2,1H3,(H,24,27)
InChIKeyUOVNJWABMVOCSX-UHFFFAOYSA-N
MW476.47 g/mol
LogP3.78
Rot. Bonds7

About 2,4-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide

2,4-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide (PubChem CID 54764946) has the molecular formula C21H31Cl2N3O3S and a molecular weight of 476.47 g/mol. Its IUPAC name is 2,4-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
PubChem CID54764946
Molecular FormulaC21H31Cl2N3O3S
Molecular Weight476.47 g/mol
Exact Mass475.15
IUPAC Name2,4-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
SMILESCCCS(=O)(=O)N1CCN(C2(CNC(=O)c3ccc(Cl)cc3Cl)CCCCC2)CC1
InChIInChI=1S/C21H31Cl2N3O3S/c1-2-14-30(28,29)26-12-10-25(11-13-26)21(8-4-3-5-9-21)16-24-20(27)18-7-6-17(22)15-19(18)23/h6-7,15H,2-5,8-14,16H2,1H3,(H,24,27)
InChIKeyUOVNJWABMVOCSX-UHFFFAOYSA-N
XLogP3.78
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Isomerase, glucose
CID 1151718
N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide
CID 1069892
4-[4-(2-Chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide
CID 155937511
2,4-dichloro-N-[(1S)-1-(4-phenyl-1-propylsulfonylpiperidin-4-yl)ethyl]benzamide
CID 11363702
2,4-dichloro-N-((4-(cyclopropylmethyl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 11510618
2,4-dichloro-N-((4-(cyclopropylmethyl)-1-(ethylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 11604449
2,4-Dichloro-N-{[4-(morpholin-4-ylcarbonyl)-1-(propylsulfonyl)piperidin-4-yl]methyl}benzamide
CID 11699068
2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]benzamide
CID 15951943
2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]benzamide
CID 15952325
2,4-dichloro-N-((1-methyl-1''-(propylsulfonyl)-2,4''-bipiperidin-4''-yl)methyl)benzamide
CID 16678871
2,4-dichloro-N-(1-methyl-3-phenylpiperidin-3-yl)benzamide
CID 59438510
N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide
CID 71716253

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide (CID 54764946) is 2,4-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide is CCCS(=O)(=O)N1CCN(C2(CNC(=O)c3ccc(Cl)cc3Cl)CCCCC2)CC1.
What is the InChIKey of 2,4-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
The InChIKey is UOVNJWABMVOCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31Cl2N3O3S/c1-2-14-30(28,29)26-12-10-25(11-13-26)21(8-4-3-5-9-21)16-24-20(27)18-7-6-17(22)15-19(18)23/h6-7,15H,2-5,8-14,16H2,1H3,(H,24,27).
What are the key properties of 2,4-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide?
2,4-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide has a molecular weight of 476.47 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[1-(4-propylsulfonylpiperazin-1-yl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 54764946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).