5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride

C14H20Cl2N2OS — CID 119427327

IUPAC5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCCSc1ccc(Cl)cc1C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C14H19ClN2OS.ClH/c1-2-19-13-6-5-10(15)8-12(13)14(18)17-11-4-3-7-16-9-11;/h5-6,8,11,16H,2-4,7,9H2,1H3,(H,17,18);1H
InChIKeySYUOPAYCIJYKHD-UHFFFAOYSA-N
MW335.30 g/mol
LogP3.36
Rot. Bonds4

About 5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride

5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride (PubChem CID 119427327) has the molecular formula C14H20Cl2N2OS and a molecular weight of 335.30 g/mol. Its IUPAC name is 5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride
PubChem CID119427327
Molecular FormulaC14H20Cl2N2OS
Molecular Weight335.30 g/mol
Exact Mass334.07
IUPAC Name5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCCSc1ccc(Cl)cc1C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C14H19ClN2OS.ClH/c1-2-19-13-6-5-10(15)8-12(13)14(18)17-11-4-3-7-16-9-11;/h5-6,8,11,16H,2-4,7,9H2,1H3,(H,17,18);1H
InChIKeySYUOPAYCIJYKHD-UHFFFAOYSA-N
XLogP3.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride
CID 119424718
5-chloro-2-ethylsulfanyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120575162
5-chloro-2-ethylsulfanyl-N-(4-hydroxycyclohexyl)benzamide
CID 111969627
4-chloro-2-methoxy-N-piperidin-3-ylbenzamide
CID 63321384
5-chloro-2-cyclopentyloxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428659
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
5-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62379160
2-methyl-5-methylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426358
5-chloro-2-propan-2-yloxy-N-pyrrolidin-3-ylbenzamide
CID 119449786
N-(azepan-4-yl)-2,4-dichlorobenzamide
CID 105058883
4-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62378983
2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119427017

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride (CID 119427327) is 5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride is CCSc1ccc(Cl)cc1C(=O)NC1CCCNC1.Cl.
What is the InChIKey of 5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride?
The InChIKey is SYUOPAYCIJYKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS.ClH/c1-2-19-13-6-5-10(15)8-12(13)14(18)17-11-4-3-7-16-9-11;/h5-6,8,11,16H,2-4,7,9H2,1H3,(H,17,18);1H.
What are the key properties of 5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride?
5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride has a molecular weight of 335.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119427327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).