5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide

C17H20FN3O3S — CID 90259869

IUPAC5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C17H20FN3O3S/c1-3-12(2)21-25(23,24)14-4-5-16(18)15(10-14)17(22)20-11-13-6-8-19-9-7-13/h4-10,12,21H,3,11H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyHQLREKBPVVXHFR-GFCCVEGCSA-N
MW365.43 g/mol
LogP2.23
Rot. Bonds7

About 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide

5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 90259869) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide
PubChem CID90259869
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC Name5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C17H20FN3O3S/c1-3-12(2)21-25(23,24)14-4-5-16(18)15(10-14)17(22)20-11-13-6-8-19-9-7-13/h4-10,12,21H,3,11H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyHQLREKBPVVXHFR-GFCCVEGCSA-N
XLogP2.23
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(2-methylpyrazol-3-yl)benzamide
CID 90259276
5-(ethylsulfamoyl)-2-fluoro-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 55910283
5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55910020
3-(butan-2-ylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 109062897
5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluoro-N-methylbenzamide
CID 90259183
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 55990379
N-(3-amino-4-fluorophenyl)-5-[[(2S)-butan-2-yl]sulfamoyl]-2-methylbenzamide
CID 155431543
2-chloro-5-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052685
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9116780
N-(2-amino-2-oxoethyl)-4-[[[4-(butan-2-ylsulfamoyl)benzoyl]amino]methyl]benzamide
CID 46494464

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide (CID 90259869) is 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide is CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccncc2)c1.
What is the InChIKey of 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is HQLREKBPVVXHFR-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20FN3O3S/c1-3-12(2)21-25(23,24)14-4-5-16(18)15(10-14)17(22)20-11-13-6-8-19-9-7-13/h4-10,12,21H,3,11H2,1-2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide?
5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 365.43 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 90259869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).