5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide

C15H19FN4O3S — CID 90259276

IUPAC5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccnn2C)c1
InChIInChI=1S/C15H19FN4O3S/c1-4-10(2)19-24(22,23)11-5-6-13(16)12(9-11)15(21)18-14-7-8-17-20(14)3/h5-10,19H,4H2,1-3H3,(H,18,21)/t10-/m1/s1
InChIKeyPXMWQSDBVONNGV-SNVBAGLBSA-N
MW354.41 g/mol
LogP1.89
Rot. Bonds6

About 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide

5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide (PubChem CID 90259276) has the molecular formula C15H19FN4O3S and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide
PubChem CID90259276
Molecular FormulaC15H19FN4O3S
Molecular Weight354.41 g/mol
Exact Mass354.12
IUPAC Name5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccnn2C)c1
InChIInChI=1S/C15H19FN4O3S/c1-4-10(2)19-24(22,23)11-5-6-13(16)12(9-11)15(21)18-14-7-8-17-20(14)3/h5-10,19H,4H2,1-3H3,(H,18,21)/t10-/m1/s1
InChIKeyPXMWQSDBVONNGV-SNVBAGLBSA-N
XLogP1.89
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide
CID 118684025
5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 90259140
5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 90259869
5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluoro-N-methylbenzamide
CID 90259183
4-(butan-2-ylsulfamoyl)-N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 55491479
N-(3-amino-4-fluorophenyl)-5-[[(2S)-butan-2-yl]sulfamoyl]-2-methylbenzamide
CID 155431543
3,4-difluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 25046115
(2R)-2-[[3-[(3,4-difluorophenyl)carbamoyl]-4-fluorophenyl]sulfonylamino]propanoic acid
CID 76901469
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 38996610
2-fluoro-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-sulfamoylbenzamide
CID 97138029
5-bromo-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 24695142
5-chloro-2-(methylamino)-N-(2-methylpyrazol-3-yl)benzamide
CID 62173538

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide?
The IUPAC name of 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide (CID 90259276) is 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide is CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccnn2C)c1.
What is the InChIKey of 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide?
The InChIKey is PXMWQSDBVONNGV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19FN4O3S/c1-4-10(2)19-24(22,23)11-5-6-13(16)12(9-11)15(21)18-14-7-8-17-20(14)3/h5-10,19H,4H2,1-3H3,(H,18,21)/t10-/m1/s1.
What are the key properties of 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide?
5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide has a molecular weight of 354.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 90259276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).