N-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide

C21H23FN4O4S — CID 170341252

IUPACN-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccnn2C)ccc1S(=O)(=O)Nc1cccc(C(C)(C)F)c1
InChIInChI=1S/C21H23FN4O4S/c1-21(2,22)14-6-5-7-16(12-14)25-31(28,29)19-9-8-15(13-18(19)30-4)24-20(27)17-10-11-23-26(17)3/h5-13,25H,1-4H3,(H,24,27)
InChIKeyAGXCGVUWEXHYTP-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.69
Rot. Bonds7

About N-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide

N-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide (PubChem CID 170341252) has the molecular formula C21H23FN4O4S and a molecular weight of 446.50 g/mol. Its IUPAC name is N-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide
PubChem CID170341252
Molecular FormulaC21H23FN4O4S
Molecular Weight446.50 g/mol
Exact Mass446.14
IUPAC NameN-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccnn2C)ccc1S(=O)(=O)Nc1cccc(C(C)(C)F)c1
InChIInChI=1S/C21H23FN4O4S/c1-21(2,22)14-6-5-7-16(12-14)25-31(28,29)19-9-8-15(13-18(19)30-4)24-20(27)17-10-11-23-26(17)3/h5-13,25H,1-4H3,(H,24,27)
InChIKeyAGXCGVUWEXHYTP-UHFFFAOYSA-N
XLogP3.69
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(dimethylamino)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide
CID 169307975
N-[4-[[3-(1-fluoro-1-iodoethyl)phenyl]sulfamoyl]-3-iodophenyl]-2-methylpyrazole-3-carboxamide
CID 170342228
N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide
CID 169308128
2-hydroxy-N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-methylbutanamide
CID 169308090
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-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(oxan-4-yl)acetamide
CID 169307783
N-[3-methoxy-4-(phenylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 45110912
(2S)-N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 169307860
N-[3-fluoro-4-[[3-(1-fluoro-1-phosphanylethoxy)phenyl]sulfamoyl]-5-methylphenyl]-2-methylpyrazole-3-carboxamide
CID 170347026
N-[2-[3-[[5-[3-(dimethylcarbamoyl)phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]-2-methylpyrazole-3-carboxamide
CID 122610600

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide (CID 170341252) is N-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide is COc1cc(NC(=O)c2ccnn2C)ccc1S(=O)(=O)Nc1cccc(C(C)(C)F)c1.
What is the InChIKey of N-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is AGXCGVUWEXHYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O4S/c1-21(2,22)14-6-5-7-16(12-14)25-31(28,29)19-9-8-15(13-18(19)30-4)24-20(27)17-10-11-23-26(17)3/h5-13,25H,1-4H3,(H,24,27).
What are the key properties of N-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide?
N-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 446.50 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 170341252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).