N-(2-chloro-5-methoxyphenyl)sulfonyl-5-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide

C19H14Cl2F3N3O4S — CID 139453023

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-5-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cc(-c3cc(Cl)cc(C(F)(F)F)c3)n(C)n2)c1
InChIInChI=1S/C19H14Cl2F3N3O4S/c1-27-16(10-5-11(19(22,23)24)7-12(20)6-10)9-15(25-27)18(28)26-32(29,30)17-8-13(31-2)3-4-14(17)21/h3-9H,1-2H3,(H,26,28)
InChIKeyABXVIPQCKGQLTC-UHFFFAOYSA-N
MW508.31 g/mol
LogP4.54
Rot. Bonds5

About N-(2-chloro-5-methoxyphenyl)sulfonyl-5-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide

N-(2-chloro-5-methoxyphenyl)sulfonyl-5-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 139453023) has the molecular formula C19H14Cl2F3N3O4S and a molecular weight of 508.31 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-5-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-5-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
PubChem CID139453023
Molecular FormulaC19H14Cl2F3N3O4S
Molecular Weight508.31 g/mol
Exact Mass507.00
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-5-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cc(-c3cc(Cl)cc(C(F)(F)F)c3)n(C)n2)c1
InChIInChI=1S/C19H14Cl2F3N3O4S/c1-27-16(10-5-11(19(22,23)24)7-12(20)6-10)9-15(25-27)18(28)26-32(29,30)17-8-13(31-2)3-4-14(17)21/h3-9H,1-2H3,(H,26,28)
InChIKeyABXVIPQCKGQLTC-UHFFFAOYSA-N
XLogP4.54
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.31
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-methoxybenzenethiol;5-(3,5-dichlorophenyl)-1-methylpyrazole-3-carboxamide
CID 142342342
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide
CID 139453142
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)imidazole-4-carboxamide
CID 139453200
N-(2,5-dimethoxyphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide
CID 18629743
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2-fluorophenyl)imidazole-4-carboxamide
CID 139453144
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(4-chlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide
CID 139453275
N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336303
N-(2-chlorophenyl)sulfonyl-1-[3-chloro-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139452977
N-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2,3-dichlorophenyl)-1-methylimidazole-4-carboxamide
CID 155116595
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(2,4-dichlorophenyl)-5-(difluoromethyl)imidazole-4-carboxamide
CID 139453250
2-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-methylimidazole-4-carboxamide
CID 152842079
N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-methylimidazole-4-carboxamide
CID 139453081

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-5-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-5-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide (CID 139453023) is N-(2-chloro-5-methoxyphenyl)sulfonyl-5-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-5-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-5-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cc(-c3cc(Cl)cc(C(F)(F)F)c3)n(C)n2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-5-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is ABXVIPQCKGQLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F3N3O4S/c1-27-16(10-5-11(19(22,23)24)7-12(20)6-10)9-15(25-27)18(28)26-32(29,30)17-8-13(31-2)3-4-14(17)21/h3-9H,1-2H3,(H,26,28).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-5-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-5-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 508.31 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)sulfonyl-5-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 139453023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).