3-[(3-chlorophenyl)sulfamoyl]-N-pyridin-3-ylbenzamide

C18H14ClN3O3S — CID 2326399

IUPAC3-[(3-chlorophenyl)sulfamoyl]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C18H14ClN3O3S/c19-14-5-2-6-15(11-14)22-26(24,25)17-8-1-4-13(10-17)18(23)21-16-7-3-9-20-12-16/h1-12,22H,(H,21,23)
InChIKeyAGLMSXHTTUWGMJ-UHFFFAOYSA-N
MW387.85 g/mol
LogP3.79
Rot. Bonds5

About 3-[(3-chlorophenyl)sulfamoyl]-N-pyridin-3-ylbenzamide

3-[(3-chlorophenyl)sulfamoyl]-N-pyridin-3-ylbenzamide (PubChem CID 2326399) has the molecular formula C18H14ClN3O3S and a molecular weight of 387.85 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfamoyl]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfamoyl]-N-pyridin-3-ylbenzamide
PubChem CID2326399
Molecular FormulaC18H14ClN3O3S
Molecular Weight387.85 g/mol
Exact Mass387.04
IUPAC Name3-[(3-chlorophenyl)sulfamoyl]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C18H14ClN3O3S/c19-14-5-2-6-15(11-14)22-26(24,25)17-8-1-4-13(10-17)18(23)21-16-7-3-9-20-12-16/h1-12,22H,(H,21,23)
InChIKeyAGLMSXHTTUWGMJ-UHFFFAOYSA-N
XLogP3.79
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-N-pyridin-3-ylbenzamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-N-pyridin-3-ylbenzamide (CID 2326399) is 3-[(3-chlorophenyl)sulfamoyl]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfamoyl]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfamoyl]-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfamoyl]-N-pyridin-3-ylbenzamide?
The InChIKey is AGLMSXHTTUWGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3S/c19-14-5-2-6-15(11-14)22-26(24,25)17-8-1-4-13(10-17)18(23)21-16-7-3-9-20-12-16/h1-12,22H,(H,21,23).
What are the key properties of 3-[(3-chlorophenyl)sulfamoyl]-N-pyridin-3-ylbenzamide?
3-[(3-chlorophenyl)sulfamoyl]-N-pyridin-3-ylbenzamide has a molecular weight of 387.85 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfamoyl]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 2326399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).