N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-ylsulfonylbenzamide

C20H23ClN2O4S — CID 31289322

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-ylsulfonylbenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H23ClN2O4S/c1-14-12-17(18(27-2)13-16(14)21)22-20(24)15-8-4-5-9-19(15)28(25,26)23-10-6-3-7-11-23/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,22,24)
InChIKeyOPAYLGJHUVDXNX-UHFFFAOYSA-N
MW422.93 g/mol
LogP4.08
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-ylsulfonylbenzamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 31289322) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-ylsulfonylbenzamide
PubChem CID31289322
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-ylsulfonylbenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H23ClN2O4S/c1-14-12-17(18(27-2)13-16(14)21)22-20(24)15-8-4-5-9-19(15)28(25,26)23-10-6-3-7-11-23/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,22,24)
InChIKeyOPAYLGJHUVDXNX-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 55623393
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(phenyl)sulfamoyl]benzamide
CID 2561325
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892263
3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)benzamide
CID 26620619
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)benzamide
CID 60680092
N-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 4781950
2-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270356
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
CID 7946811
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
CID 2107284
CID 90477654
CID 90477654
(2S)-1-(benzenesulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)piperidine-2-carboxamide
CID 2526254
N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26620585

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-ylsulfonylbenzamide (CID 31289322) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-ylsulfonylbenzamide is COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is OPAYLGJHUVDXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-14-12-17(18(27-2)13-16(14)21)22-20(24)15-8-4-5-9-19(15)28(25,26)23-10-6-3-7-11-23/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-ylsulfonylbenzamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 422.93 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 31289322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).