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

C21H25ClN2O4S — CID 24983012

IUPAC2-chloro-N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCN(CCOc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C21H25ClN2O4S/c1-23(14-15-28-17-8-4-2-5-9-17)21(25)19-16-18(10-11-20(19)22)29(26,27)24-12-6-3-7-13-24/h2,4-5,8-11,16H,3,6-7,12-15H2,1H3
InChIKeyVNXVGARJVHQPKB-UHFFFAOYSA-N
MW436.96 g/mol
LogP3.67
Rot. Bonds7

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

2-chloro-N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 24983012) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylbenzamide
PubChem CID24983012
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name2-chloro-N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylbenzamide
SMILESCN(CCOc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C21H25ClN2O4S/c1-23(14-15-28-17-8-4-2-5-9-17)21(25)19-16-18(10-11-20(19)22)29(26,27)24-12-6-3-7-13-24/h2,4-5,8-11,16H,3,6-7,12-15H2,1H3
InChIKeyVNXVGARJVHQPKB-UHFFFAOYSA-N
XLogP3.67
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 4779883
2-chloro-N-(2-methoxyphenyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1356335
2,4-dichloro-N-(2-phenoxyethyl)-5-sulfamoylbenzamide
CID 1825978
2-chloro-N-[2-(4-ethylphenoxy)ethyl]-5-methylsulfanylbenzamide
CID 2174530
[2-chloro-5-(morpholin-4-ylsulfonyl)phenyl](6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
CID 666362
2-chloro-5-[(dimethylamino)sulfonyl]-N-(2-furylmethyl)benzamide
CID 891338
2-chloro-N-(2-furylmethyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1107138
1-(3-Chlorobenzoyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1147959
2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 2395136
N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide
CID 2472340
N,4-dimethyl-N-(2-phenoxyethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 8960790
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 16290145

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylbenzamide (CID 24983012) is 2-chloro-N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylbenzamide is CN(CCOc1ccccc1)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is VNXVGARJVHQPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-23(14-15-28-17-8-4-2-5-9-17)21(25)19-16-18(10-11-20(19)22)29(26,27)24-12-6-3-7-13-24/h2,4-5,8-11,16H,3,6-7,12-15H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylbenzamide?
2-chloro-N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 436.96 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 24983012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).