N-[4-(acetylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide

C25H18ClF3N4O4S — CID 59631882

IUPACN-[4-(acetylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1
InChIInChI=1S/C25H18ClF3N4O4S/c1-15(34)32-38(36,37)19-12-10-18(11-13-19)30-24(35)17-8-6-16(7-9-17)22-14-23(25(27,28)29)31-33(22)21-5-3-2-4-20(21)26/h2-14H,1H3,(H,30,35)(H,32,34)
InChIKeyUJXQLZPNKZBKOY-UHFFFAOYSA-N
MW562.96 g/mol
LogP5.29
Rot. Bonds6

About N-[4-(acetylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide

N-[4-(acetylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide (PubChem CID 59631882) has the molecular formula C25H18ClF3N4O4S and a molecular weight of 562.96 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
PubChem CID59631882
Molecular FormulaC25H18ClF3N4O4S
Molecular Weight562.96 g/mol
Exact Mass562.07
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1
InChIInChI=1S/C25H18ClF3N4O4S/c1-15(34)32-38(36,37)19-12-10-18(11-13-19)30-24(35)17-8-6-16(7-9-17)22-14-23(25(27,28)29)31-33(22)21-5-3-2-4-20(21)26/h2-14H,1H3,(H,30,35)(H,32,34)
InChIKeyUJXQLZPNKZBKOY-UHFFFAOYSA-N
XLogP5.29
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.96
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide (CID 59631882) is N-[4-(acetylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The InChIKey is UJXQLZPNKZBKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF3N4O4S/c1-15(34)32-38(36,37)19-12-10-18(11-13-19)30-24(35)17-8-6-16(7-9-17)22-14-23(25(27,28)29)31-33(22)21-5-3-2-4-20(21)26/h2-14H,1H3,(H,30,35)(H,32,34).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
N-[4-(acetylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide has a molecular weight of 562.96 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 59631882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).