5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluoro-N-methylbenzamide

C18H19F3N2O3S — CID 90259183

IUPAC5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluoro-N-methylbenzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N(C)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C18H19F3N2O3S/c1-4-11(2)22-27(25,26)13-6-8-15(19)14(10-13)18(24)23(3)12-5-7-16(20)17(21)9-12/h5-11,22H,4H2,1-3H3
InChIKeyMJASKMSHXONMRZ-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.46
Rot. Bonds6

About 5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluoro-N-methylbenzamide

5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluoro-N-methylbenzamide (PubChem CID 90259183) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is 5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluoro-N-methylbenzamide
PubChem CID90259183
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC Name5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluoro-N-methylbenzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N(C)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C18H19F3N2O3S/c1-4-11(2)22-27(25,26)13-6-8-15(19)14(10-13)18(24)23(3)12-5-7-16(20)17(21)9-12/h5-11,22H,4H2,1-3H3
InChIKeyMJASKMSHXONMRZ-UHFFFAOYSA-N
XLogP3.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide
CID 118684025
N-(4-bromo-3-methylphenyl)-2-fluoro-N-methyl-5-(propan-2-ylsulfamoyl)benzamide
CID 86963141
5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 90259869
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
methyl 2-[[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580629
N-(1-bromopropan-2-yl)-3,4-difluorobenzenesulfonamide
CID 114294366
N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide
CID 104873374
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 55605684
N-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
CID 55903058
N-(4-bromopentan-2-yl)-3,4-difluorobenzenesulfonamide
CID 113376804
5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide
CID 43255365

Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluoro-N-methylbenzamide?
The IUPAC name of 5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluoro-N-methylbenzamide (CID 90259183) is 5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluoro-N-methylbenzamide?
The canonical SMILES for 5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluoro-N-methylbenzamide is CCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N(C)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluoro-N-methylbenzamide?
The InChIKey is MJASKMSHXONMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-4-11(2)22-27(25,26)13-6-8-15(19)14(10-13)18(24)23(3)12-5-7-16(20)17(21)9-12/h5-11,22H,4H2,1-3H3.
What are the key properties of 5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluoro-N-methylbenzamide?
5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluoro-N-methylbenzamide has a molecular weight of 400.42 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 90259183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).