N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide

C20H24N2O5S2 — CID 18284846

IUPACN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H24N2O5S2/c1-15-6-9-18(29(26,27)22-12-4-3-5-13-22)14-19(15)21-20(23)16-7-10-17(11-8-16)28(2,24)25/h6-11,14H,3-5,12-13H2,1-2H3,(H,21,23)
InChIKeyARCNTGUYCZEWCT-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.83
Rot. Bonds5

About N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide

N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide (PubChem CID 18284846) has the molecular formula C20H24N2O5S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide
PubChem CID18284846
Molecular FormulaC20H24N2O5S2
Molecular Weight436.56 g/mol
Exact Mass436.11
IUPAC NameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H24N2O5S2/c1-15-6-9-18(29(26,27)22-12-4-3-5-13-22)14-19(15)21-20(23)16-7-10-17(11-8-16)28(2,24)25/h6-11,14H,3-5,12-13H2,1-2H3,(H,21,23)
InChIKeyARCNTGUYCZEWCT-UHFFFAOYSA-N
XLogP2.83
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 7695652
4-(dimethylsulfamoyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4852363
4-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-nitrobenzamide
CID 4796819
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
3-cyano-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 40602464
5-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 9454137
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7695778
4-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)benzamide
CID 2600312
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 18074440
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4846894
N-(5-amino-2-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 120569015
5-bromo-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 4878026

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide (CID 18284846) is N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide?
The InChIKey is ARCNTGUYCZEWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S2/c1-15-6-9-18(29(26,27)22-12-4-3-5-13-22)14-19(15)21-20(23)16-7-10-17(11-8-16)28(2,24)25/h6-11,14H,3-5,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide?
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide has a molecular weight of 436.56 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-4-methylsulfonylbenzamide is sourced from PubChem (CID 18284846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).