4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide

C17H18F2N2O3S — CID 55485773

IUPAC4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C17H18F2N2O3S/c1-3-11(2)21-25(23,24)13-9-7-12(8-10-13)17(22)20-16-14(18)5-4-6-15(16)19/h4-11,21H,3H2,1-2H3,(H,20,22)
InChIKeyLIQAHWIAMLZUFK-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.29
Rot. Bonds6

About 4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide

4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide (PubChem CID 55485773) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide.

Molecular Properties

Compound Name4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide
PubChem CID55485773
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Name4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C17H18F2N2O3S/c1-3-11(2)21-25(23,24)13-9-7-12(8-10-13)17(22)20-16-14(18)5-4-6-15(16)19/h4-11,21H,3H2,1-2H3,(H,20,22)
InChIKeyLIQAHWIAMLZUFK-UHFFFAOYSA-N
XLogP3.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 51309792
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
CID 78783239
4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
4-(butan-2-ylsulfamoyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]benzamide
CID 55862793
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide
CID 7333137
4-(butan-2-ylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46521899
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013
4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide
CID 41273948
4-(butan-2-ylsulfamoyl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78859795

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide?
The IUPAC name of 4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide (CID 55485773) is 4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide.
What is the SMILES notation for 4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide?
The canonical SMILES for 4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2c(F)cccc2F)cc1.
What is the InChIKey of 4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide?
The InChIKey is LIQAHWIAMLZUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-3-11(2)21-25(23,24)13-9-7-12(8-10-13)17(22)20-16-14(18)5-4-6-15(16)19/h4-11,21H,3H2,1-2H3,(H,20,22).
What are the key properties of 4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide?
4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide has a molecular weight of 368.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylsulfamoyl)-N-(2,6-difluorophenyl)benzamide is sourced from PubChem (CID 55485773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).