N-(2-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide

C19H21ClN2O4S — CID 60597425

IUPACN-(2-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(Cl)c1
InChIInChI=1S/C19H21ClN2O4S/c1-26-15-8-9-18(17(20)13-15)21-19(23)14-6-5-7-16(12-14)27(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,23)
InChIKeyPTPRAEALZWIVKN-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.78
Rot. Bonds5

About N-(2-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide

N-(2-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 60597425) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is N-(2-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID60597425
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC NameN-(2-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(Cl)c1
InChIInChI=1S/C19H21ClN2O4S/c1-26-15-8-9-18(17(20)13-15)21-19(23)14-6-5-7-16(12-14)27(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,23)
InChIKeyPTPRAEALZWIVKN-UHFFFAOYSA-N
XLogP3.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 9098514
N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26620585
N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 118695530
N-(3-methoxyphenyl)-2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 17482508
methyl 3-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]thiophene-2-carboxylate
CID 26705000
3-(azepan-1-ylsulfonyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 53285817
2,5-dimethoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 30862218
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(methylsulfamoyl)benzamide
CID 26848789
3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 66872671
N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 120569015
N-(3,4-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2682841
N-(2-fluoro-4-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26522940

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide (CID 60597425) is N-(2-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide is COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is PTPRAEALZWIVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-26-15-8-9-18(17(20)13-15)21-19(23)14-6-5-7-16(12-14)27(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,23).
What are the key properties of N-(2-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
N-(2-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 408.91 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 60597425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).