3-[(4-chlorophenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide

C17H15ClN4O3S — CID 152790957

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cn1
InChIInChI=1S/C17H15ClN4O3S/c1-22-11-15(10-19-22)20-17(23)12-3-2-4-14(9-12)21-26(24,25)16-7-5-13(18)6-8-16/h2-11,21H,1H3,(H,20,23)
InChIKeySHKUAPXRIWEEIV-UHFFFAOYSA-N
MW390.85 g/mol
LogP3.13
Rot. Bonds5

About 3-[(4-chlorophenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide

3-[(4-chlorophenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 152790957) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID152790957
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cn1
InChIInChI=1S/C17H15ClN4O3S/c1-22-11-15(10-19-22)20-17(23)12-3-2-4-14(9-12)21-26(24,25)16-7-5-13(18)6-8-16/h2-11,21H,1H3,(H,20,23)
InChIKeySHKUAPXRIWEEIV-UHFFFAOYSA-N
XLogP3.13
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-chlorophenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide (CID 152790957) is 3-[(4-chlorophenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide is Cn1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cn1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is SHKUAPXRIWEEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c1-22-11-15(10-19-22)20-17(23)12-3-2-4-14(9-12)21-26(24,25)16-7-5-13(18)6-8-16/h2-11,21H,1H3,(H,20,23).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide?
3-[(4-chlorophenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 390.85 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 152790957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).