N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C19H15ClF3N3O4S — CID 19267765

IUPACN-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C(F)(F)F)n(C)n2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H15ClF3N3O4S/c1-26-17(19(21,22)23)10-16(25-26)18(27)24-12-7-13(30-2)9-15(8-12)31(28,29)14-5-3-11(20)4-6-14/h3-10H,1-2H3,(H,24,27)
InChIKeyOSMUDKPNTIHFJE-UHFFFAOYSA-N
MW473.86 g/mol
LogP4.19
Rot. Bonds5

About N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19267765) has the molecular formula C19H15ClF3N3O4S and a molecular weight of 473.86 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19267765
Molecular FormulaC19H15ClF3N3O4S
Molecular Weight473.86 g/mol
Exact Mass473.04
IUPAC NameN-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C(F)(F)F)n(C)n2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H15ClF3N3O4S/c1-26-17(19(21,22)23)10-16(25-26)18(27)24-12-7-13(30-2)9-15(8-12)31(28,29)14-5-3-11(20)4-6-14/h3-10H,1-2H3,(H,24,27)
InChIKeyOSMUDKPNTIHFJE-UHFFFAOYSA-N
XLogP4.19
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.86
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[chloro(difluoro)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19458157
N-(3-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267596
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]propanamide
CID 19554290
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 17026778
1-methyl-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide
CID 46270511
1-[(4-tert-butylphenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]pyrazole-3-carboxamide
CID 19273859
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]propanamide
CID 19543847
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-ethylpyrazole-4-carboxamide
CID 19281153
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
CID 19550046
1-methyl-N-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 47001916
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
CID 19516690
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473510

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19267765) is N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is COc1cc(NC(=O)c2cc(C(F)(F)F)n(C)n2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is OSMUDKPNTIHFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O4S/c1-26-17(19(21,22)23)10-16(25-26)18(27)24-12-7-13(30-2)9-15(8-12)31(28,29)14-5-3-11(20)4-6-14/h3-10H,1-2H3,(H,24,27).
What are the key properties of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 473.86 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19267765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).