3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1H-pyrazol-5-yl)benzamide

C17H15ClN4O3S — CID 47835432

IUPAC3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1H-pyrazol-5-yl)benzamide
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2ccn[nH]2)c1
InChIInChI=1S/C17H15ClN4O3S/c1-22(14-6-3-5-13(18)11-14)26(24,25)15-7-2-4-12(10-15)17(23)20-16-8-9-19-21-16/h2-11H,1H3,(H2,19,20,21,23)
InChIKeyXGZKDQPDBRUGQB-UHFFFAOYSA-N
MW390.85 g/mol
LogP3.14
Rot. Bonds5

About 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1H-pyrazol-5-yl)benzamide

3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 47835432) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1H-pyrazol-5-yl)benzamide
PubChem CID47835432
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC Name3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1H-pyrazol-5-yl)benzamide
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2ccn[nH]2)c1
InChIInChI=1S/C17H15ClN4O3S/c1-22(14-6-3-5-13(18)11-14)26(24,25)15-7-2-4-12(10-15)17(23)20-16-8-9-19-21-16/h2-11H,1H3,(H2,19,20,21,23)
InChIKeyXGZKDQPDBRUGQB-UHFFFAOYSA-N
XLogP3.14
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1H-pyrazol-5-yl)benzamide (CID 47835432) is 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1H-pyrazol-5-yl)benzamide is CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2ccn[nH]2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is XGZKDQPDBRUGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c1-22(14-6-3-5-13(18)11-14)26(24,25)15-7-2-4-12(10-15)17(23)20-16-8-9-19-21-16/h2-11H,1H3,(H2,19,20,21,23).
What are the key properties of 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1H-pyrazol-5-yl)benzamide?
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 390.85 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 47835432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).