N-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide

C20H23ClN2O4S — CID 4781950

IUPACN-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C20H23ClN2O4S/c1-14-6-8-16(28(25,26)23-10-4-3-5-11-23)13-17(14)20(24)22-18-12-15(21)7-9-19(18)27-2/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24)
InChIKeyVQCLSKBRVZIDTA-UHFFFAOYSA-N
MW422.93 g/mol
LogP4.08
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide

N-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 4781950) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
PubChem CID4781950
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C20H23ClN2O4S/c1-14-6-8-16(28(25,26)23-10-4-3-5-11-23)13-17(14)20(24)22-18-12-15(21)7-9-19(18)27-2/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24)
InChIKeyVQCLSKBRVZIDTA-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-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide
CID 55329981
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
CID 9046765
N-(3-chloro-4-methylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
CID 28591009
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
CID 7946811
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 4619509
N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 43882515
2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 4849595
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
5-(azepan-1-ylsulfonyl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide
CID 55337182
2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-nitrobenzamide
CID 26065828

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide (CID 4781950) is N-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide is COc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is VQCLSKBRVZIDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-14-6-8-16(28(25,26)23-10-4-3-5-11-23)13-17(14)20(24)22-18-12-15(21)7-9-19(18)27-2/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
N-(5-chloro-2-methoxyphenyl)-2-methyl-5-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-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 4781950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).