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

C20H19F3N4O5S — CID 169307844

IUPACN-[3-methoxy-2-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide
SMILESCOc1c(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)ccc(NC(=O)c2ccnn2C)c1C
InChIInChI=1S/C20H19F3N4O5S/c1-12-15(25-19(28)16-9-10-24-27(16)2)7-8-17(18(12)31-3)33(29,30)26-13-5-4-6-14(11-13)32-20(21,22)23/h4-11,26H,1-3H3,(H,25,28)
InChIKeyBVRCKTUKHITMAV-UHFFFAOYSA-N
MW484.46 g/mol
LogP3.69
Rot. Bonds7

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

N-[3-methoxy-2-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide (PubChem CID 169307844) has the molecular formula C20H19F3N4O5S and a molecular weight of 484.46 g/mol. Its IUPAC name is N-[3-methoxy-2-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-2-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide
PubChem CID169307844
Molecular FormulaC20H19F3N4O5S
Molecular Weight484.46 g/mol
Exact Mass484.10
IUPAC NameN-[3-methoxy-2-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide
SMILESCOc1c(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)ccc(NC(=O)c2ccnn2C)c1C
InChIInChI=1S/C20H19F3N4O5S/c1-12-15(25-19(28)16-9-10-24-27(16)2)7-8-17(18(12)31-3)33(29,30)26-13-5-4-6-14(11-13)32-20(21,22)23/h4-11,26H,1-3H3,(H,25,28)
InChIKeyBVRCKTUKHITMAV-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-[3-methoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide
CID 169307765
N-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide
CID 170341252
N-[3-fluoro-4-[[3-(1-fluoro-1-phosphanylethoxy)phenyl]sulfamoyl]-5-methylphenyl]-2-methylpyrazole-3-carboxamide
CID 170347026
N-[4-[[3-(1-fluoro-1-iodoethyl)phenyl]sulfamoyl]-3-iodophenyl]-2-methylpyrazole-3-carboxamide
CID 170342228
N-[4-[[3-(dimethylamino)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide
CID 169307975
methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate
CID 3565491
N-[3-(1,1-difluoroethoxy)phenyl]-2-ethoxy-4-[[2-(2-methylpyrazole-3-carbonyl)cyclopropyl]methyl]benzenesulfonamide
CID 170341301
ethane;1-methyl-4-(propan-2-ylsulfamoyl)-N-[3-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide
CID 144745457
N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide
CID 169308128
2,2-dimethyl-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 24662948
N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide
CID 169308046
8-ethoxy-N-[3-(trifluoromethoxy)phenyl]quinoline-5-sulfonamide
CID 5186150

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-2-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-methoxy-2-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide (CID 169307844) is N-[3-methoxy-2-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-methoxy-2-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-methoxy-2-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide is COc1c(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)ccc(NC(=O)c2ccnn2C)c1C.
What is the InChIKey of N-[3-methoxy-2-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is BVRCKTUKHITMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O5S/c1-12-15(25-19(28)16-9-10-24-27(16)2)7-8-17(18(12)31-3)33(29,30)26-13-5-4-6-14(11-13)32-20(21,22)23/h4-11,26H,1-3H3,(H,25,28).
What are the key properties of N-[3-methoxy-2-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide?
N-[3-methoxy-2-methyl-4-[[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-2-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 169307844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).