N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide

C19H16F2N4O6S — CID 169308128

IUPACN-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccnn2C)ccc1S(=O)(=O)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C19H16F2N4O6S/c1-25-13(7-8-22-25)18(26)23-11-4-6-17(16(9-11)29-2)32(27,28)24-12-3-5-14-15(10-12)31-19(20,21)30-14/h3-10,24H,1-2H3,(H,23,26)
InChIKeyVENIKJCBKBCHIF-UHFFFAOYSA-N
MW466.42 g/mol
LogP2.80
Rot. Bonds6

About N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide

N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide (PubChem CID 169308128) has the molecular formula C19H16F2N4O6S and a molecular weight of 466.42 g/mol. Its IUPAC name is N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide
PubChem CID169308128
Molecular FormulaC19H16F2N4O6S
Molecular Weight466.42 g/mol
Exact Mass466.08
IUPAC NameN-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccnn2C)ccc1S(=O)(=O)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C19H16F2N4O6S/c1-25-13(7-8-22-25)18(26)23-11-4-6-17(16(9-11)29-2)32(27,28)24-12-3-5-14-15(10-12)31-19(20,21)30-14/h3-10,24H,1-2H3,(H,23,26)
InChIKeyVENIKJCBKBCHIF-UHFFFAOYSA-N
XLogP2.80
TPSA120.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide
CID 170341252
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-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
[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)carbamoyl]-1-methylpyrazol-5-yl]carbamic acid
CID 69107534
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3,4-trimethoxybenzamide
CID 26954091
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-methoxypyridine-3-carboxamide
CID 24532820
N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide
CID 6470985
N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]phenyl]acetamide
CID 8841631
N-[3-methoxy-4-(phenylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 45110912
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylsulfonylpropanamide
CID 51080513

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide (CID 169308128) is N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide is COc1cc(NC(=O)c2ccnn2C)ccc1S(=O)(=O)Nc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is VENIKJCBKBCHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O6S/c1-25-13(7-8-22-25)18(26)23-11-4-6-17(16(9-11)29-2)32(27,28)24-12-3-5-14-15(10-12)31-19(20,21)30-14/h3-10,24H,1-2H3,(H,23,26).
What are the key properties of N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide?
N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 466.42 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 169308128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).