5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(3-fluoro-4-methylphenyl)benzamide

C18H20F2N2O3S — CID 90259140

IUPAC5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C)c(F)c2)c1
InChIInChI=1S/C18H20F2N2O3S/c1-4-12(3)22-26(24,25)14-7-8-16(19)15(10-14)18(23)21-13-6-5-11(2)17(20)9-13/h5-10,12,22H,4H2,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeyLDEBAVVKQDBNDF-GFCCVEGCSA-N
MW382.43 g/mol
LogP3.60
Rot. Bonds6

About 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(3-fluoro-4-methylphenyl)benzamide

5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(3-fluoro-4-methylphenyl)benzamide (PubChem CID 90259140) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(3-fluoro-4-methylphenyl)benzamide.

Molecular Properties

Compound Name5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
PubChem CID90259140
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC Name5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C)c(F)c2)c1
InChIInChI=1S/C18H20F2N2O3S/c1-4-12(3)22-26(24,25)14-7-8-16(19)15(10-14)18(23)21-13-6-5-11(2)17(20)9-13/h5-10,12,22H,4H2,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeyLDEBAVVKQDBNDF-GFCCVEGCSA-N
XLogP3.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-fluorophenyl)-5-[[(2S)-butan-2-yl]sulfamoyl]-2-methylbenzamide
CID 155431543
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(propylsulfamoyl)benzamide
CID 25038796
3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide
CID 118684025
(2R)-2-[[3-[(3,4-difluorophenyl)carbamoyl]-4-fluorophenyl]sulfonylamino]propanoic acid
CID 76901469
2-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 76902815
5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide
CID 90259276
5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 90269965
5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 90259869
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide
CID 40575887
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4524450
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 3673075
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 41260416

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(3-fluoro-4-methylphenyl)benzamide?
The IUPAC name of 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(3-fluoro-4-methylphenyl)benzamide (CID 90259140) is 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(3-fluoro-4-methylphenyl)benzamide.
What is the SMILES notation for 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(3-fluoro-4-methylphenyl)benzamide?
The canonical SMILES for 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(3-fluoro-4-methylphenyl)benzamide is CC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C)c(F)c2)c1.
What is the InChIKey of 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(3-fluoro-4-methylphenyl)benzamide?
The InChIKey is LDEBAVVKQDBNDF-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c1-4-12(3)22-26(24,25)14-7-8-16(19)15(10-14)18(23)21-13-6-5-11(2)17(20)9-13/h5-10,12,22H,4H2,1-3H3,(H,21,23)/t12-/m1/s1.
What are the key properties of 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(3-fluoro-4-methylphenyl)benzamide?
5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(3-fluoro-4-methylphenyl)benzamide has a molecular weight of 382.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(3-fluoro-4-methylphenyl)benzamide is sourced from PubChem (CID 90259140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).