N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide

C21H25ClN2O3S — CID 9217485

IUPACN-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
SMILESC[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H25ClN2O3S/c1-16-5-2-3-14-24(16)28(26,27)20-7-4-6-18(15-20)21(25)23-13-12-17-8-10-19(22)11-9-17/h4,6-11,15-16H,2-3,5,12-14H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyWCNNAFZKHFFQEC-INIZCTEOSA-N
MW420.96 g/mol
LogP3.88
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide

N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide (PubChem CID 9217485) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
PubChem CID9217485
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
SMILESC[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H25ClN2O3S/c1-16-5-2-3-14-24(16)28(26,27)20-7-4-6-18(15-20)21(25)23-13-12-17-8-10-19(22)11-9-17/h4,6-11,15-16H,2-3,5,12-14H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyWCNNAFZKHFFQEC-INIZCTEOSA-N
XLogP3.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 8502363
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CID 9165564
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
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3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-quinolin-8-ylethyl)benzamide
CID 78836589
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide
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N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119629639
N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9411283
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 86950492
N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 78767659
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CID 146122746
3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
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3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide
CID 9227506

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide (CID 9217485) is N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide is C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The InChIKey is WCNNAFZKHFFQEC-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c1-16-5-2-3-14-24(16)28(26,27)20-7-4-6-18(15-20)21(25)23-13-12-17-8-10-19(22)11-9-17/h4,6-11,15-16H,2-3,5,12-14H2,1H3,(H,23,25)/t16-/m0/s1.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide?
N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide has a molecular weight of 420.96 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 9217485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).