4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzamide

C17H14F2N4O3S — CID 10715523

IUPAC4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H14F2N4O3S/c18-16(19)14-9-15(10-1-3-11(4-2-10)17(20)24)23(22-14)12-5-7-13(8-6-12)27(21,25)26/h1-9,16H,(H2,20,24)(H2,21,25,26)
InChIKeyYSSAHKASSSTFFW-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.22
Rot. Bonds5

About 4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzamide

4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzamide (PubChem CID 10715523) has the molecular formula C17H14F2N4O3S and a molecular weight of 392.39 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzamide
PubChem CID10715523
Molecular FormulaC17H14F2N4O3S
Molecular Weight392.39 g/mol
Exact Mass392.08
IUPAC Name4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H14F2N4O3S/c18-16(19)14-9-15(10-1-3-11(4-2-10)17(20)24)23(22-14)12-5-7-13(8-6-12)27(21,25)26/h1-9,16H,(H2,20,24)(H2,21,25,26)
InChIKeyYSSAHKASSSTFFW-UHFFFAOYSA-N
XLogP2.22
TPSA121.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzamide?
The IUPAC name of 4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzamide (CID 10715523) is 4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for 4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzamide?
The canonical SMILES for 4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzamide is NC(=O)c1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzamide?
The InChIKey is YSSAHKASSSTFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O3S/c18-16(19)14-9-15(10-1-3-11(4-2-10)17(20)24)23(22-14)12-5-7-13(8-6-12)27(21,25)26/h1-9,16H,(H2,20,24)(H2,21,25,26).
What are the key properties of 4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzamide?
4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzamide has a molecular weight of 392.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 10715523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).