3-[butyl(methyl)sulfamoyl]-N-(2,4-difluorophenyl)benzamide

C18H20F2N2O3S — CID 109065487

IUPAC3-[butyl(methyl)sulfamoyl]-N-(2,4-difluorophenyl)benzamide
SMILESCCCCN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C18H20F2N2O3S/c1-3-4-10-22(2)26(24,25)15-7-5-6-13(11-15)18(23)21-17-9-8-14(19)12-16(17)20/h5-9,11-12H,3-4,10H2,1-2H3,(H,21,23)
InChIKeyVBYTZRTXNSXELS-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.64
Rot. Bonds7

About 3-[butyl(methyl)sulfamoyl]-N-(2,4-difluorophenyl)benzamide

3-[butyl(methyl)sulfamoyl]-N-(2,4-difluorophenyl)benzamide (PubChem CID 109065487) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is 3-[butyl(methyl)sulfamoyl]-N-(2,4-difluorophenyl)benzamide.

Molecular Properties

Compound Name3-[butyl(methyl)sulfamoyl]-N-(2,4-difluorophenyl)benzamide
PubChem CID109065487
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC Name3-[butyl(methyl)sulfamoyl]-N-(2,4-difluorophenyl)benzamide
SMILESCCCCN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C18H20F2N2O3S/c1-3-4-10-22(2)26(24,25)15-7-5-6-13(11-15)18(23)21-17-9-8-14(19)12-16(17)20/h5-9,11-12H,3-4,10H2,1-2H3,(H,21,23)
InChIKeyVBYTZRTXNSXELS-UHFFFAOYSA-N
XLogP3.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 51204944
N-(2,4-difluorophenyl)-3-[methyl(methylsulfonyl)amino]benzamide
CID 47001427
N-[3-(difluoromethyl)-4-fluorophenyl]-3-[methyl(propyl)sulfamoyl]benzamide
CID 129212231
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 7948731
N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9208555
3-[butyl(methyl)sulfamoyl]-N-[(2-chlorophenyl)methyl]benzamide
CID 109064739
N-(3-hydroxyphenyl)-3-[methyl(propyl)sulfamoyl]benzamide
CID 27241907
N-(4-chloro-2-fluorophenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2711755
3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791217
N-(2,4-difluorophenyl)-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295940
3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 18197948
N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide
CID 109061485

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)sulfamoyl]-N-(2,4-difluorophenyl)benzamide?
The IUPAC name of 3-[butyl(methyl)sulfamoyl]-N-(2,4-difluorophenyl)benzamide (CID 109065487) is 3-[butyl(methyl)sulfamoyl]-N-(2,4-difluorophenyl)benzamide.
What is the SMILES notation for 3-[butyl(methyl)sulfamoyl]-N-(2,4-difluorophenyl)benzamide?
The canonical SMILES for 3-[butyl(methyl)sulfamoyl]-N-(2,4-difluorophenyl)benzamide is CCCCN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of 3-[butyl(methyl)sulfamoyl]-N-(2,4-difluorophenyl)benzamide?
The InChIKey is VBYTZRTXNSXELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c1-3-4-10-22(2)26(24,25)15-7-5-6-13(11-15)18(23)21-17-9-8-14(19)12-16(17)20/h5-9,11-12H,3-4,10H2,1-2H3,(H,21,23).
What are the key properties of 3-[butyl(methyl)sulfamoyl]-N-(2,4-difluorophenyl)benzamide?
3-[butyl(methyl)sulfamoyl]-N-(2,4-difluorophenyl)benzamide has a molecular weight of 382.43 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)sulfamoyl]-N-(2,4-difluorophenyl)benzamide is sourced from PubChem (CID 109065487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).