N-(3-chloro-4-methylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide

C20H23ClN2O4S — CID 28591009

IUPACN-(3-chloro-4-methylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C20H23ClN2O4S/c1-14-6-7-15(12-18(14)21)22-20(24)17-13-16(8-9-19(17)27-2)28(25,26)23-10-4-3-5-11-23/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24)
InChIKeyCQOGIOVQKCAFJM-UHFFFAOYSA-N
MW422.93 g/mol
LogP4.08
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide

N-(3-chloro-4-methylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 28591009) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
PubChem CID28591009
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC NameN-(3-chloro-4-methylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C20H23ClN2O4S/c1-14-6-7-15(12-18(14)21)22-20(24)17-13-16(8-9-19(17)27-2)28(25,26)23-10-4-3-5-11-23/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24)
InChIKeyCQOGIOVQKCAFJM-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

5-(azepan-1-ylsulfonyl)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 43882708
5-(azepan-1-ylsulfonyl)-N-(3,4-dimethoxyphenyl)-2-methoxybenzamide
CID 26364821
2-methoxy-5-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 28591050
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590945
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26822918
5-(azepan-1-ylsulfonyl)-2-chloro-N-(3,4-dimethoxyphenyl)benzamide
CID 46387461
2-chloro-N-(3,4-dimethoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26364818
N-(3-acetamidophenyl)-5-(azepan-1-ylsulfonyl)-2-methoxybenzamide
CID 26114551
N-(3-chloro-4-methoxyphenyl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968886
N-(2,6-dichlorophenyl)-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590971
N-(5-chloro-2-methoxyphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 4781950
2-methoxy-N-(4-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 19257937

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide (CID 28591009) is N-(3-chloro-4-methylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is CQOGIOVQKCAFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-14-6-7-15(12-18(14)21)22-20(24)17-13-16(8-9-19(17)27-2)28(25,26)23-10-4-3-5-11-23/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide?
N-(3-chloro-4-methylphenyl)-2-methoxy-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-(3-chloro-4-methylphenyl)-2-methoxy-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 28591009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).