4-chloro-N-(2-ethylpyrazol-3-yl)-3-[methyl(phenyl)sulfamoyl]benzamide

C19H19ClN4O3S — CID 8005262

IUPAC4-chloro-N-(2-ethylpyrazol-3-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCCn1nccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C19H19ClN4O3S/c1-3-24-18(11-12-21-24)22-19(25)14-9-10-16(20)17(13-14)28(26,27)23(2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,22,25)
InChIKeyBJKJWSIDVNHVIK-UHFFFAOYSA-N
MW418.91 g/mol
LogP3.63
Rot. Bonds6

About 4-chloro-N-(2-ethylpyrazol-3-yl)-3-[methyl(phenyl)sulfamoyl]benzamide

4-chloro-N-(2-ethylpyrazol-3-yl)-3-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 8005262) has the molecular formula C19H19ClN4O3S and a molecular weight of 418.91 g/mol. Its IUPAC name is 4-chloro-N-(2-ethylpyrazol-3-yl)-3-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-ethylpyrazol-3-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID8005262
Molecular FormulaC19H19ClN4O3S
Molecular Weight418.91 g/mol
Exact Mass418.09
IUPAC Name4-chloro-N-(2-ethylpyrazol-3-yl)-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCCn1nccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C19H19ClN4O3S/c1-3-24-18(11-12-21-24)22-19(25)14-9-10-16(20)17(13-14)28(26,27)23(2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,22,25)
InChIKeyBJKJWSIDVNHVIK-UHFFFAOYSA-N
XLogP3.63
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethylpyrazol-3-yl)-3-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-(2-ethylpyrazol-3-yl)-3-[methyl(phenyl)sulfamoyl]benzamide (CID 8005262) is 4-chloro-N-(2-ethylpyrazol-3-yl)-3-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-(2-ethylpyrazol-3-yl)-3-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-(2-ethylpyrazol-3-yl)-3-[methyl(phenyl)sulfamoyl]benzamide is CCn1nccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)c2ccccc2)c1.
What is the InChIKey of 4-chloro-N-(2-ethylpyrazol-3-yl)-3-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is BJKJWSIDVNHVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3S/c1-3-24-18(11-12-21-24)22-19(25)14-9-10-16(20)17(13-14)28(26,27)23(2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,22,25).
What are the key properties of 4-chloro-N-(2-ethylpyrazol-3-yl)-3-[methyl(phenyl)sulfamoyl]benzamide?
4-chloro-N-(2-ethylpyrazol-3-yl)-3-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 418.91 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethylpyrazol-3-yl)-3-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 8005262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).