2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide

C19H21ClN2O5S2 — CID 55817625

IUPAC2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H21ClN2O5S2/c1-28(24,25)14-9-10-16(20)15(13-14)19(23)21-17-7-3-4-8-18(17)29(26,27)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23)
InChIKeyNWTICBYRKXSYBX-UHFFFAOYSA-N
MW456.97 g/mol
LogP3.17
Rot. Bonds5

About 2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide

2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 55817625) has the molecular formula C19H21ClN2O5S2 and a molecular weight of 456.97 g/mol. Its IUPAC name is 2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID55817625
Molecular FormulaC19H21ClN2O5S2
Molecular Weight456.97 g/mol
Exact Mass456.06
IUPAC Name2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H21ClN2O5S2/c1-28(24,25)14-9-10-16(20)15(13-14)19(23)21-17-7-3-4-8-18(17)29(26,27)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23)
InChIKeyNWTICBYRKXSYBX-UHFFFAOYSA-N
XLogP3.17
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26727587
4,5-dichloro-1-methyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919824
4-chloro-3-nitro-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 60549546
1-methyl-4-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919434
5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 55920724
2-chloro-N-(2-propoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26897896
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine
CID 35289014
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 1240122
2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide
CID 24979952
2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26913737
2-methyl-6-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 52662748

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide (CID 55817625) is 2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide is CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is NWTICBYRKXSYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S2/c1-28(24,25)14-9-10-16(20)15(13-14)19(23)21-17-7-3-4-8-18(17)29(26,27)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 2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide?
2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 456.97 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 55817625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).