N-[3-(difluoromethyl)-4-fluorophenyl]-3-[methyl(propyl)sulfamoyl]benzamide

C18H19F3N2O3S — CID 129212231

IUPACN-[3-(difluoromethyl)-4-fluorophenyl]-3-[methyl(propyl)sulfamoyl]benzamide
SMILESCCCN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(C(F)F)c2)c1
InChIInChI=1S/C18H19F3N2O3S/c1-3-9-23(2)27(25,26)14-6-4-5-12(10-14)18(24)22-13-7-8-16(19)15(11-13)17(20)21/h4-8,10-11,17H,3,9H2,1-2H3,(H,22,24)
InChIKeyJOCIXDILARYVKT-UHFFFAOYSA-N
MW400.42 g/mol
LogP4.05
Rot. Bonds7

About N-[3-(difluoromethyl)-4-fluorophenyl]-3-[methyl(propyl)sulfamoyl]benzamide

N-[3-(difluoromethyl)-4-fluorophenyl]-3-[methyl(propyl)sulfamoyl]benzamide (PubChem CID 129212231) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-4-fluorophenyl]-3-[methyl(propyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-4-fluorophenyl]-3-[methyl(propyl)sulfamoyl]benzamide
PubChem CID129212231
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC NameN-[3-(difluoromethyl)-4-fluorophenyl]-3-[methyl(propyl)sulfamoyl]benzamide
SMILESCCCN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(C(F)F)c2)c1
InChIInChI=1S/C18H19F3N2O3S/c1-3-9-23(2)27(25,26)14-6-4-5-12(10-14)18(24)22-13-7-8-16(19)15(11-13)17(20)21/h4-8,10-11,17H,3,9H2,1-2H3,(H,22,24)
InChIKeyJOCIXDILARYVKT-UHFFFAOYSA-N
XLogP4.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxyphenyl)-3-[methyl(propyl)sulfamoyl]benzamide
CID 27241907
N-[3-(difluoromethyl)-4-fluorophenyl]-3-(2-methylpropylsulfonyl)benzamide
CID 149288991
3-[butyl(methyl)sulfamoyl]-N-(2,4-difluorophenyl)benzamide
CID 109065487
N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 9165805
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(difluoromethoxy)benzamide
CID 7948721
3-(dipropylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 26914144
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 7948731
N-(3-fluoro-4-methylphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 7962924
N-[4-(dimethylamino)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 110356126
3-[benzyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 109064666
N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4800184
3-[[3-(dibutylsulfamoyl)benzoyl]amino]benzoic acid
CID 4240708

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-4-fluorophenyl]-3-[methyl(propyl)sulfamoyl]benzamide?
The IUPAC name of N-[3-(difluoromethyl)-4-fluorophenyl]-3-[methyl(propyl)sulfamoyl]benzamide (CID 129212231) is N-[3-(difluoromethyl)-4-fluorophenyl]-3-[methyl(propyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[3-(difluoromethyl)-4-fluorophenyl]-3-[methyl(propyl)sulfamoyl]benzamide?
The canonical SMILES for N-[3-(difluoromethyl)-4-fluorophenyl]-3-[methyl(propyl)sulfamoyl]benzamide is CCCN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(C(F)F)c2)c1.
What is the InChIKey of N-[3-(difluoromethyl)-4-fluorophenyl]-3-[methyl(propyl)sulfamoyl]benzamide?
The InChIKey is JOCIXDILARYVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-3-9-23(2)27(25,26)14-6-4-5-12(10-14)18(24)22-13-7-8-16(19)15(11-13)17(20)21/h4-8,10-11,17H,3,9H2,1-2H3,(H,22,24).
What are the key properties of N-[3-(difluoromethyl)-4-fluorophenyl]-3-[methyl(propyl)sulfamoyl]benzamide?
N-[3-(difluoromethyl)-4-fluorophenyl]-3-[methyl(propyl)sulfamoyl]benzamide has a molecular weight of 400.42 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-4-fluorophenyl]-3-[methyl(propyl)sulfamoyl]benzamide is sourced from PubChem (CID 129212231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).