N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-methoxybenzamide

C20H23ClN2O4S — CID 11611555

IUPACN-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3C)C2)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-14-18(21)6-3-7-19(14)28(25,26)23-12-4-5-16(13-23)22-20(24)15-8-10-17(27-2)11-9-15/h3,6-11,16H,4-5,12-13H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyYJCNOXVAXNOQJF-INIZCTEOSA-N
MW422.93 g/mol
LogP3.24
Rot. Bonds5

About N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-methoxybenzamide

N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-methoxybenzamide (PubChem CID 11611555) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-methoxybenzamide
PubChem CID11611555
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC NameN-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3C)C2)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-14-18(21)6-3-7-19(14)28(25,26)23-12-4-5-16(13-23)22-20(24)15-8-10-17(27-2)11-9-15/h3,6-11,16H,4-5,12-13H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyYJCNOXVAXNOQJF-INIZCTEOSA-N
XLogP3.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-4-carboxamide
CID 11618123
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]piperidine-3-carboxamide
CID 58656350
N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-2-carboxamide
CID 11639788
N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide
CID 68872036
1-(3-chloro-2-methylphenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69263233
1-[1-[[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]carbamoyl]cyclohexyl]-N-[(3R)-piperidin-3-yl]cyclohexane-1-carboxamide;hydrochloride
CID 68933615
(1S)-1-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124678233
N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-methoxyacetamide
CID 167889276
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylsulfonylbenzamide
CID 41171707
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910179
ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate
CID 94638463
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 40775151

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-methoxybenzamide (CID 11611555) is N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3C)C2)cc1.
What is the InChIKey of N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-methoxybenzamide?
The InChIKey is YJCNOXVAXNOQJF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-14-18(21)6-3-7-19(14)28(25,26)23-12-4-5-16(13-23)22-20(24)15-8-10-17(27-2)11-9-15/h3,6-11,16H,4-5,12-13H2,1-2H3,(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-methoxybenzamide?
N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-methoxybenzamide has a molecular weight of 422.93 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 11611555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).