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

C19H21ClN2O4S — CID 2704849

IUPAC4-chloro-N-(2-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H21ClN2O4S/c1-26-17-8-4-3-7-16(17)21-19(23)14-9-10-15(20)18(13-14)27(24,25)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23)
InChIKeyNLVUAKXSYGLLMM-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.78
Rot. Bonds5

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

4-chloro-N-(2-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2704849) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2704849
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name4-chloro-N-(2-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H21ClN2O4S/c1-26-17-8-4-3-7-16(17)21-19(23)14-9-10-15(20)18(13-14)27(24,25)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23)
InChIKeyNLVUAKXSYGLLMM-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-[Benzyl(2-methoxyphenyl)sulfamoyl]-4-chlorobenzoic acid
CID 3854694
N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 2463208
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 2472408
4-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]benzamide
CID 3465983
2-chloro-6-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3968655
4-chloro-N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 16277775
2-chloro-N-(2-methoxyphenyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1356335
4-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 2741842
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158
2-Chloro-N-(2-hydroxy-phenyl)-5-(morpholine-4-sulfonyl)-benzamide
CID 649929
N-(2-Ethoxy-phenyl)-4-(morpholine-4-sulfonyl)-benzamide
CID 650265

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(2-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide (CID 2704849) is 4-chloro-N-(2-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(2-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(2-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide is COc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-chloro-N-(2-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is NLVUAKXSYGLLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-26-17-8-4-3-7-16(17)21-19(23)14-9-10-15(20)18(13-14)27(24,25)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23).
What are the key properties of 4-chloro-N-(2-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide?
4-chloro-N-(2-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 4-chloro-N-(2-methoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2704849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).