5-chloro-1-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethoxy)phenyl]sulfonylpyrazole-4-carboxamide

C18H12Cl2F3N3O4S — CID 177451903

IUPAC5-chloro-1-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethoxy)phenyl]sulfonylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2)c(Cl)c1C(=O)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H12Cl2F3N3O4S/c1-10-15(16(20)26(24-10)12-4-2-11(19)3-5-12)17(27)25-31(28,29)14-8-6-13(7-9-14)30-18(21,22)23/h2-9H,1H3,(H,25,27)
InChIKeySLLJALWNFSJARG-UHFFFAOYSA-N
MW494.28 g/mol
LogP4.50
Rot. Bonds5

About 5-chloro-1-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethoxy)phenyl]sulfonylpyrazole-4-carboxamide

5-chloro-1-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethoxy)phenyl]sulfonylpyrazole-4-carboxamide (PubChem CID 177451903) has the molecular formula C18H12Cl2F3N3O4S and a molecular weight of 494.28 g/mol. Its IUPAC name is 5-chloro-1-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethoxy)phenyl]sulfonylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethoxy)phenyl]sulfonylpyrazole-4-carboxamide
PubChem CID177451903
Molecular FormulaC18H12Cl2F3N3O4S
Molecular Weight494.28 g/mol
Exact Mass492.99
IUPAC Name5-chloro-1-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethoxy)phenyl]sulfonylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2)c(Cl)c1C(=O)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H12Cl2F3N3O4S/c1-10-15(16(20)26(24-10)12-4-2-11(19)3-5-12)17(27)25-31(28,29)14-8-6-13(7-9-14)30-18(21,22)23/h2-9H,1H3,(H,25,27)
InChIKeySLLJALWNFSJARG-UHFFFAOYSA-N
XLogP4.50
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.28
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(4-chlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole-5-carboxylate
CID 175820685
5-chloro-N-(3-methoxyphenyl)sulfonyl-1,3-dimethylpyrazole-4-carboxamide
CID 86868986
N-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 78780570
4-(trifluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3346091
3,5-dimethyl-1-phenyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 46678504
5-chloro-3-methyl-1-phenyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyrazole-4-carboxamide
CID 24682886
4-(2-methylbutan-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylcarbamoyl]phenolate
CID 176641512
2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183
1-(4-chlorophenyl)-N-(4-fluoro-3-methylphenyl)sulfonyl-5-methylpyrazole-4-carboxamide
CID 166208436
4-chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 122442807
N-[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862918
4-[1-(4-chlorophenyl)-4-[4-(trifluoromethoxy)phenyl]imidazol-2-yl]benzenesulfonamide
CID 22998138

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethoxy)phenyl]sulfonylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethoxy)phenyl]sulfonylpyrazole-4-carboxamide (CID 177451903) is 5-chloro-1-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethoxy)phenyl]sulfonylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethoxy)phenyl]sulfonylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethoxy)phenyl]sulfonylpyrazole-4-carboxamide is Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C(=O)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-chloro-1-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethoxy)phenyl]sulfonylpyrazole-4-carboxamide?
The InChIKey is SLLJALWNFSJARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2F3N3O4S/c1-10-15(16(20)26(24-10)12-4-2-11(19)3-5-12)17(27)25-31(28,29)14-8-6-13(7-9-14)30-18(21,22)23/h2-9H,1H3,(H,25,27).
What are the key properties of 5-chloro-1-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethoxy)phenyl]sulfonylpyrazole-4-carboxamide?
5-chloro-1-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethoxy)phenyl]sulfonylpyrazole-4-carboxamide has a molecular weight of 494.28 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethoxy)phenyl]sulfonylpyrazole-4-carboxamide is sourced from PubChem (CID 177451903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).