N-[cyano-(2,4-difluorophenyl)methyl]-5-(diethylsulfamoyl)-2-fluorobenzamide

C19H18F3N3O3S — CID 56584375

IUPACN-[cyano-(2,4-difluorophenyl)methyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NC(C#N)c2ccc(F)cc2F)c1
InChIInChI=1S/C19H18F3N3O3S/c1-3-25(4-2)29(27,28)13-6-8-16(21)15(10-13)19(26)24-18(11-23)14-7-5-12(20)9-17(14)22/h5-10,18H,3-4H2,1-2H3,(H,24,26)
InChIKeyWLHPFSPVJFOSFA-UHFFFAOYSA-N
MW425.43 g/mol
LogP3.13
Rot. Bonds7

About N-[cyano-(2,4-difluorophenyl)methyl]-5-(diethylsulfamoyl)-2-fluorobenzamide

N-[cyano-(2,4-difluorophenyl)methyl]-5-(diethylsulfamoyl)-2-fluorobenzamide (PubChem CID 56584375) has the molecular formula C19H18F3N3O3S and a molecular weight of 425.43 g/mol. Its IUPAC name is N-[cyano-(2,4-difluorophenyl)methyl]-5-(diethylsulfamoyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-[cyano-(2,4-difluorophenyl)methyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
PubChem CID56584375
Molecular FormulaC19H18F3N3O3S
Molecular Weight425.43 g/mol
Exact Mass425.10
IUPAC NameN-[cyano-(2,4-difluorophenyl)methyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NC(C#N)c2ccc(F)cc2F)c1
InChIInChI=1S/C19H18F3N3O3S/c1-3-25(4-2)29(27,28)13-6-8-16(21)15(10-13)19(26)24-18(11-23)14-7-5-12(20)9-17(14)22/h5-10,18H,3-4H2,1-2H3,(H,24,26)
InChIKeyWLHPFSPVJFOSFA-UHFFFAOYSA-N
XLogP3.13
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyano-(2,4-difluorophenyl)methyl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 56536851
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-difluorobenzamide
CID 26423277
N-[cyano-(2,4-difluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 56537065
5-(diethylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
CID 26102432
5-(diethylsulfamoyl)-N-(2,6-difluorophenyl)-2-fluorobenzamide
CID 51158899
5-(diethylsulfamoyl)-2-fluoro-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 55395143
N-(cyclopropylmethyl)-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 34825943
5-(diethylsulfamoyl)-2-fluoro-N-(2,4,6-trimethylphenyl)benzamide
CID 26085905
5-(diethylsulfamoyl)-2-fluoro-N-(2-iodophenyl)benzamide
CID 26087674
N-[5-chloro-2-(dimethylamino)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 55336223
5-(diethylsulfamoyl)-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9301737
5-(diethylsulfamoyl)-2-fluoro-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 26218803

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2,4-difluorophenyl)methyl]-5-(diethylsulfamoyl)-2-fluorobenzamide?
The IUPAC name of N-[cyano-(2,4-difluorophenyl)methyl]-5-(diethylsulfamoyl)-2-fluorobenzamide (CID 56584375) is N-[cyano-(2,4-difluorophenyl)methyl]-5-(diethylsulfamoyl)-2-fluorobenzamide.
What is the SMILES notation for N-[cyano-(2,4-difluorophenyl)methyl]-5-(diethylsulfamoyl)-2-fluorobenzamide?
The canonical SMILES for N-[cyano-(2,4-difluorophenyl)methyl]-5-(diethylsulfamoyl)-2-fluorobenzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NC(C#N)c2ccc(F)cc2F)c1.
What is the InChIKey of N-[cyano-(2,4-difluorophenyl)methyl]-5-(diethylsulfamoyl)-2-fluorobenzamide?
The InChIKey is WLHPFSPVJFOSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3S/c1-3-25(4-2)29(27,28)13-6-8-16(21)15(10-13)19(26)24-18(11-23)14-7-5-12(20)9-17(14)22/h5-10,18H,3-4H2,1-2H3,(H,24,26).
What are the key properties of N-[cyano-(2,4-difluorophenyl)methyl]-5-(diethylsulfamoyl)-2-fluorobenzamide?
N-[cyano-(2,4-difluorophenyl)methyl]-5-(diethylsulfamoyl)-2-fluorobenzamide has a molecular weight of 425.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2,4-difluorophenyl)methyl]-5-(diethylsulfamoyl)-2-fluorobenzamide is sourced from PubChem (CID 56584375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).