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

C23H19ClN4O3S — CID 155528441

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide
SMILESCc1ccc(-n2cc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)cn2)cc1
InChIInChI=1S/C23H19ClN4O3S/c1-16-5-9-21(10-6-16)28-15-20(14-25-28)26-23(29)17-3-2-4-19(13-17)27-32(30,31)22-11-7-18(24)8-12-22/h2-15,27H,1H3,(H,26,29)
InChIKeyRNDLPHMGJNBQHR-UHFFFAOYSA-N
MW466.95 g/mol
LogP4.89
Rot. Bonds6

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

3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide (PubChem CID 155528441) has the molecular formula C23H19ClN4O3S and a molecular weight of 466.95 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide
PubChem CID155528441
Molecular FormulaC23H19ClN4O3S
Molecular Weight466.95 g/mol
Exact Mass466.09
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide
SMILESCc1ccc(-n2cc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)cn2)cc1
InChIInChI=1S/C23H19ClN4O3S/c1-16-5-9-21(10-6-16)28-15-20(14-25-28)26-23(29)17-3-2-4-19(13-17)27-32(30,31)22-11-7-18(24)8-12-22/h2-15,27H,1H3,(H,26,29)
InChIKeyRNDLPHMGJNBQHR-UHFFFAOYSA-N
XLogP4.89
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide (CID 155528441) is 3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide is Cc1ccc(-n2cc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)cn2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide?
The InChIKey is RNDLPHMGJNBQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3S/c1-16-5-9-21(10-6-16)28-15-20(14-25-28)26-23(29)17-3-2-4-19(13-17)27-32(30,31)22-11-7-18(24)8-12-22/h2-15,27H,1H3,(H,26,29).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide?
3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide has a molecular weight of 466.95 g/mol, XLogP of 4.89, 6 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-(4-methylphenyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 155528441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).