2,4-dichloro-N-[(1S)-1-(1-ethylsulfonyl-4-methylpiperidin-4-yl)ethyl]benzamide

C17H24Cl2N2O3S — CID 143116406

IUPAC2,4-dichloro-N-[(1S)-1-(1-ethylsulfonyl-4-methylpiperidin-4-yl)ethyl]benzamide
SMILESCCS(=O)(=O)N1CCC(C)([C@H](C)NC(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H24Cl2N2O3S/c1-4-25(23,24)21-9-7-17(3,8-10-21)12(2)20-16(22)14-6-5-13(18)11-15(14)19/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,22)/t12-/m0/s1
InChIKeyALPNKPRFRNKNMJ-LBPRGKRZSA-N
MW407.36 g/mol
LogP3.56
Rot. Bonds5

About 2,4-dichloro-N-[(1S)-1-(1-ethylsulfonyl-4-methylpiperidin-4-yl)ethyl]benzamide

2,4-dichloro-N-[(1S)-1-(1-ethylsulfonyl-4-methylpiperidin-4-yl)ethyl]benzamide (PubChem CID 143116406) has the molecular formula C17H24Cl2N2O3S and a molecular weight of 407.36 g/mol. Its IUPAC name is 2,4-dichloro-N-[(1S)-1-(1-ethylsulfonyl-4-methylpiperidin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(1S)-1-(1-ethylsulfonyl-4-methylpiperidin-4-yl)ethyl]benzamide
PubChem CID143116406
Molecular FormulaC17H24Cl2N2O3S
Molecular Weight407.36 g/mol
Exact Mass406.09
IUPAC Name2,4-dichloro-N-[(1S)-1-(1-ethylsulfonyl-4-methylpiperidin-4-yl)ethyl]benzamide
SMILESCCS(=O)(=O)N1CCC(C)([C@H](C)NC(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H24Cl2N2O3S/c1-4-25(23,24)21-9-7-17(3,8-10-21)12(2)20-16(22)14-6-5-13(18)11-15(14)19/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,22)/t12-/m0/s1
InChIKeyALPNKPRFRNKNMJ-LBPRGKRZSA-N
XLogP3.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[[1-ethylsulfonyl-4-(2-methylpropyl)piperidin-4-yl]methyl]benzamide
CID 16678874
2,4-dichloro-N-[(1S)-1-(1-propylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)ethyl]benzamide
CID 11503999
2,4-dichloro-N-[1-[1-(ethylsulfamoyl)-4-pyridin-2-ylpiperidin-4-yl]ethyl]benzamide
CID 11634466
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
2,4-dichloro-N-[(2S)-3-methyl-1-(4-methylsulfonylpiperazin-1-yl)-1-oxobutan-2-yl]benzamide
CID 42123727
2-chloro-N-ethyl-4-(trifluoromethyl)benzamide;ethane;1-ethylsulfonyl-4-methyl-4-(2-methylpropyl)piperidine
CID 143452840
2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide
CID 83178224
2,4-dichloro-N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 134016848
2,4-dichloro-N-[2-[4,4-difluoro-1-[4-(2-hydroxypropylsulfonyl)piperazin-1-yl]cyclohexyl]ethyl]benzamide
CID 89482358
2,4-dichloro-N-[[4-(4-propylsulfonylpiperazin-1-yl)oxan-4-yl]methyl]benzamide
CID 71719907
N-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 8852436
2,4-dichloro-N-(5-chloropentan-2-yl)benzamide
CID 114305887

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(1S)-1-(1-ethylsulfonyl-4-methylpiperidin-4-yl)ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(1S)-1-(1-ethylsulfonyl-4-methylpiperidin-4-yl)ethyl]benzamide (CID 143116406) is 2,4-dichloro-N-[(1S)-1-(1-ethylsulfonyl-4-methylpiperidin-4-yl)ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(1S)-1-(1-ethylsulfonyl-4-methylpiperidin-4-yl)ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(1S)-1-(1-ethylsulfonyl-4-methylpiperidin-4-yl)ethyl]benzamide is CCS(=O)(=O)N1CCC(C)([C@H](C)NC(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2,4-dichloro-N-[(1S)-1-(1-ethylsulfonyl-4-methylpiperidin-4-yl)ethyl]benzamide?
The InChIKey is ALPNKPRFRNKNMJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24Cl2N2O3S/c1-4-25(23,24)21-9-7-17(3,8-10-21)12(2)20-16(22)14-6-5-13(18)11-15(14)19/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,22)/t12-/m0/s1.
What are the key properties of 2,4-dichloro-N-[(1S)-1-(1-ethylsulfonyl-4-methylpiperidin-4-yl)ethyl]benzamide?
2,4-dichloro-N-[(1S)-1-(1-ethylsulfonyl-4-methylpiperidin-4-yl)ethyl]benzamide has a molecular weight of 407.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(1S)-1-(1-ethylsulfonyl-4-methylpiperidin-4-yl)ethyl]benzamide is sourced from PubChem (CID 143116406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).