N-(3,4-difluorophenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide

C17H19F2N3O3S — CID 109060210

IUPACN-(3,4-difluorophenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H19F2N3O3S/c1-22(2)10-9-20-26(24,25)14-6-3-12(4-7-14)17(23)21-13-5-8-15(18)16(19)11-13/h3-8,11,20H,9-10H2,1-2H3,(H,21,23)
InChIKeyLJWWICRSLVXUBA-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.06
Rot. Bonds7

About N-(3,4-difluorophenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide

N-(3,4-difluorophenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide (PubChem CID 109060210) has the molecular formula C17H19F2N3O3S and a molecular weight of 383.42 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
PubChem CID109060210
Molecular FormulaC17H19F2N3O3S
Molecular Weight383.42 g/mol
Exact Mass383.11
IUPAC NameN-(3,4-difluorophenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H19F2N3O3S/c1-22(2)10-9-20-26(24,25)14-6-3-12(4-7-14)17(23)21-13-5-8-15(18)16(19)11-13/h3-8,11,20H,9-10H2,1-2H3,(H,21,23)
InChIKeyLJWWICRSLVXUBA-UHFFFAOYSA-N
XLogP2.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314597
N-(3-fluoro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17455377
4-[3-(dimethylamino)propylsulfamoyl]-N-(4-ethylphenyl)benzamide
CID 109060317
N-(3-fluoro-4-methylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33314755
N-(3,4-difluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9165761
4-[2-(dimethylamino)ethylsulfamoyl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 109060145
N-(3-chlorophenyl)-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109064025
4-[3-(dimethylamino)propylsulfamoyl]-N-(3-methoxyphenyl)benzamide
CID 109060325
N-(3,4-difluorophenyl)-4-(ethylsulfonylamino)benzamide
CID 2996034
N-(3,4-difluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1294762
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(3-fluoro-4-methylphenyl)benzamide
CID 34228029
4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058420

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide (CID 109060210) is N-(3,4-difluorophenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide is CN(C)CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide?
The InChIKey is LJWWICRSLVXUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3S/c1-22(2)10-9-20-26(24,25)14-6-3-12(4-7-14)17(23)21-13-5-8-15(18)16(19)11-13/h3-8,11,20H,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-(3,4-difluorophenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide?
N-(3,4-difluorophenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide has a molecular weight of 383.42 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-[2-(dimethylamino)ethylsulfamoyl]benzamide is sourced from PubChem (CID 109060210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).