3-[(2,4-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide

C20H19N3O3S — CID 2327104

IUPAC3-[(2,4-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccnc3)c2)c(C)c1
InChIInChI=1S/C20H19N3O3S/c1-14-8-9-19(15(2)11-14)23-27(25,26)18-7-3-5-16(12-18)20(24)22-17-6-4-10-21-13-17/h3-13,23H,1-2H3,(H,22,24)
InChIKeyHRMKXXPDDLDFGU-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.75
Rot. Bonds5

About 3-[(2,4-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide

3-[(2,4-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide (PubChem CID 2327104) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide
PubChem CID2327104
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name3-[(2,4-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccnc3)c2)c(C)c1
InChIInChI=1S/C20H19N3O3S/c1-14-8-9-19(15(2)11-14)23-27(25,26)18-7-3-5-16(12-18)20(24)22-17-6-4-10-21-13-17/h3-13,23H,1-2H3,(H,22,24)
InChIKeyHRMKXXPDDLDFGU-UHFFFAOYSA-N
XLogP3.75
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide (CID 2327104) is 3-[(2,4-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccnc3)c2)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide?
The InChIKey is HRMKXXPDDLDFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-14-8-9-19(15(2)11-14)23-27(25,26)18-7-3-5-16(12-18)20(24)22-17-6-4-10-21-13-17/h3-13,23H,1-2H3,(H,22,24).
What are the key properties of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide?
3-[(2,4-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide has a molecular weight of 381.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 2327104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).