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

C24H17ClF3N5O4S — CID 59631667

IUPACN-[4-(carbamoylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESNC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1
InChIInChI=1S/C24H17ClF3N5O4S/c25-18-3-1-2-4-19(18)33-20(13-21(31-33)24(26,27)28)14-5-7-15(8-6-14)22(34)30-16-9-11-17(12-10-16)38(36,37)32-23(29)35/h1-13H,(H,30,34)(H3,29,32,35)
InChIKeyDBAWRNJMUZFCDB-UHFFFAOYSA-N
MW563.95 g/mol
LogP4.82
Rot. Bonds6

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

N-[4-(carbamoylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide (PubChem CID 59631667) has the molecular formula C24H17ClF3N5O4S and a molecular weight of 563.95 g/mol. Its IUPAC name is N-[4-(carbamoylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[4-(carbamoylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
PubChem CID59631667
Molecular FormulaC24H17ClF3N5O4S
Molecular Weight563.95 g/mol
Exact Mass563.06
IUPAC NameN-[4-(carbamoylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
SMILESNC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1
InChIInChI=1S/C24H17ClF3N5O4S/c25-18-3-1-2-4-19(18)33-20(13-21(31-33)24(26,27)28)14-5-7-15(8-6-14)22(34)30-16-9-11-17(12-10-16)38(36,37)32-23(29)35/h1-13H,(H,30,34)(H3,29,32,35)
InChIKeyDBAWRNJMUZFCDB-UHFFFAOYSA-N
XLogP4.82
TPSA136.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.95
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-methoxyphenyl)benzamide
CID 59633353
4-[[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzoyl]amino]phthalic acid
CID 59633334
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-propan-2-yloxyphenyl)benzamide
CID 59631838
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide
CID 59632538
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-imidazol-1-ylphenyl)benzamide
CID 59631754
N-(3-acetylphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 68655668
5-[[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzoyl]amino]-2-hydroxybenzoic acid
CID 59631884
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 59632992
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2,6-difluorophenyl)benzamide
CID 59633208
N-(5-acetamido-2-chlorophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 59633084
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 59632042
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-methylphenyl)benzamide
CID 68655922

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The IUPAC name of N-[4-(carbamoylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide (CID 59631667) is N-[4-(carbamoylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for N-[4-(carbamoylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The canonical SMILES for N-[4-(carbamoylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide is NC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1.
What is the InChIKey of N-[4-(carbamoylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
The InChIKey is DBAWRNJMUZFCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N5O4S/c25-18-3-1-2-4-19(18)33-20(13-21(31-33)24(26,27)28)14-5-7-15(8-6-14)22(34)30-16-9-11-17(12-10-16)38(36,37)32-23(29)35/h1-13H,(H,30,34)(H3,29,32,35).
What are the key properties of N-[4-(carbamoylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide?
N-[4-(carbamoylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide has a molecular weight of 563.95 g/mol, XLogP of 4.82, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 59631667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).