N-[3-methoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide

C20H19F3N4O5S — CID 169307765

IUPACN-[3-methoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccnn2C)ccc1S(=O)(=O)Nc1ccc(C)c(OC(F)(F)F)c1
InChIInChI=1S/C20H19F3N4O5S/c1-12-4-5-14(11-16(12)32-20(21,22)23)26-33(29,30)18-7-6-13(10-17(18)31-3)25-19(28)15-8-9-24-27(15)2/h4-11,26H,1-3H3,(H,25,28)
InChIKeyVNNKHXGEXXCUBE-UHFFFAOYSA-N
MW484.46 g/mol
LogP3.69
Rot. Bonds7

About N-[3-methoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide

N-[3-methoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide (PubChem CID 169307765) has the molecular formula C20H19F3N4O5S and a molecular weight of 484.46 g/mol. Its IUPAC name is N-[3-methoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide
PubChem CID169307765
Molecular FormulaC20H19F3N4O5S
Molecular Weight484.46 g/mol
Exact Mass484.10
IUPAC NameN-[3-methoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccnn2C)ccc1S(=O)(=O)Nc1ccc(C)c(OC(F)(F)F)c1
InChIInChI=1S/C20H19F3N4O5S/c1-12-4-5-14(11-16(12)32-20(21,22)23)26-33(29,30)18-7-6-13(10-17(18)31-3)25-19(28)15-8-9-24-27(15)2/h4-11,26H,1-3H3,(H,25,28)
InChIKeyVNNKHXGEXXCUBE-UHFFFAOYSA-N
XLogP3.69
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide
CID 170341252
N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide
CID 169308128
N-[4-[[3-(dimethylamino)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide
CID 169307975
N-[3-methoxy-2-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide
CID 169307844
N-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide
CID 61239849
N-[4-[[3-(1-fluoro-1-iodoethyl)phenyl]sulfamoyl]-3-iodophenyl]-2-methylpyrazole-3-carboxamide
CID 170342228
methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 3811980
N-[3-methoxy-4-(phenylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 45110912
(2S)-2-amino-N-[3-ethoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-phenylacetamide
CID 169307943
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
N-[3-methoxy-4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 45110911
N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3841687

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-methoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide (CID 169307765) is N-[3-methoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-methoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-methoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide is COc1cc(NC(=O)c2ccnn2C)ccc1S(=O)(=O)Nc1ccc(C)c(OC(F)(F)F)c1.
What is the InChIKey of N-[3-methoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is VNNKHXGEXXCUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O5S/c1-12-4-5-14(11-16(12)32-20(21,22)23)26-33(29,30)18-7-6-13(10-17(18)31-3)25-19(28)15-8-9-24-27(15)2/h4-11,26H,1-3H3,(H,25,28).
What are the key properties of N-[3-methoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide?
N-[3-methoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 484.46 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 169307765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).