5-(benzylsulfamoyl)-2-methyl-N-(6-methyl-2-pyridinyl)benzamide

C21H21N3O3S — CID 35505735

IUPAC5-(benzylsulfamoyl)-2-methyl-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)n1
InChIInChI=1S/C21H21N3O3S/c1-15-11-12-18(28(26,27)22-14-17-8-4-3-5-9-17)13-19(15)21(25)24-20-10-6-7-16(2)23-20/h3-13,22H,14H2,1-2H3,(H,23,24,25)
InChIKeyGAYGHJLJHALMBR-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.43
Rot. Bonds6

About 5-(benzylsulfamoyl)-2-methyl-N-(6-methyl-2-pyridinyl)benzamide

5-(benzylsulfamoyl)-2-methyl-N-(6-methyl-2-pyridinyl)benzamide (PubChem CID 35505735) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-2-methyl-N-(6-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-2-methyl-N-(6-methyl-2-pyridinyl)benzamide
PubChem CID35505735
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name5-(benzylsulfamoyl)-2-methyl-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)n1
InChIInChI=1S/C21H21N3O3S/c1-15-11-12-18(28(26,27)22-14-17-8-4-3-5-9-17)13-19(15)21(25)24-20-10-6-7-16(2)23-20/h3-13,22H,14H2,1-2H3,(H,23,24,25)
InChIKeyGAYGHJLJHALMBR-UHFFFAOYSA-N
XLogP3.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
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5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
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5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide
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5-(benzylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-2-methyl-N-(6-methyl-2-pyridinyl)benzamide?
The IUPAC name of 5-(benzylsulfamoyl)-2-methyl-N-(6-methyl-2-pyridinyl)benzamide (CID 35505735) is 5-(benzylsulfamoyl)-2-methyl-N-(6-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-2-methyl-N-(6-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-2-methyl-N-(6-methyl-2-pyridinyl)benzamide is Cc1cccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)n1.
What is the InChIKey of 5-(benzylsulfamoyl)-2-methyl-N-(6-methyl-2-pyridinyl)benzamide?
The InChIKey is GAYGHJLJHALMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-15-11-12-18(28(26,27)22-14-17-8-4-3-5-9-17)13-19(15)21(25)24-20-10-6-7-16(2)23-20/h3-13,22H,14H2,1-2H3,(H,23,24,25).
What are the key properties of 5-(benzylsulfamoyl)-2-methyl-N-(6-methyl-2-pyridinyl)benzamide?
5-(benzylsulfamoyl)-2-methyl-N-(6-methyl-2-pyridinyl)benzamide has a molecular weight of 395.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-2-methyl-N-(6-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 35505735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).