N-[3-(diethylsulfamoyl)phenyl]-2,4-difluorobenzamide

C17H18F2N2O3S — CID 7760043

IUPACN-[3-(diethylsulfamoyl)phenyl]-2,4-difluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C17H18F2N2O3S/c1-3-21(4-2)25(23,24)14-7-5-6-13(11-14)20-17(22)15-9-8-12(18)10-16(15)19/h5-11H,3-4H2,1-2H3,(H,20,22)
InChIKeyCAXBEVKYKIXPTO-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.25
Rot. Bonds6

About N-[3-(diethylsulfamoyl)phenyl]-2,4-difluorobenzamide

N-[3-(diethylsulfamoyl)phenyl]-2,4-difluorobenzamide (PubChem CID 7760043) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-2,4-difluorobenzamide
PubChem CID7760043
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-2,4-difluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C17H18F2N2O3S/c1-3-21(4-2)25(23,24)14-7-5-6-13(11-14)20-17(22)15-9-8-12(18)10-16(15)19/h5-11H,3-4H2,1-2H3,(H,20,22)
InChIKeyCAXBEVKYKIXPTO-UHFFFAOYSA-N
XLogP3.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4800184
N-[3-(diethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26252213
5-(diethylsulfamoyl)-2-fluoro-N-(3-methoxyphenyl)benzamide
CID 26914540
N-[3-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)benzamide
CID 8883724
2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide
CID 9415986
N-[3-(diethylsulfamoyl)phenyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3627376
N-[3-(diethylsulfamoyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 4043210
5-(diethylsulfamoyl)-N-[3-(dimethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 29331887
4-acetamido-N-[3-(diethylsulfamoyl)phenyl]benzamide
CID 7760016
N-[4-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 3643564
2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide
CID 4802933
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 45372456

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2,4-difluorobenzamide (CID 7760043) is N-[3-(diethylsulfamoyl)phenyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-2,4-difluorobenzamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(F)cc2F)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-2,4-difluorobenzamide?
The InChIKey is CAXBEVKYKIXPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-3-21(4-2)25(23,24)14-7-5-6-13(11-14)20-17(22)15-9-8-12(18)10-16(15)19/h5-11H,3-4H2,1-2H3,(H,20,22).
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-2,4-difluorobenzamide?
N-[3-(diethylsulfamoyl)phenyl]-2,4-difluorobenzamide has a molecular weight of 368.41 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-2,4-difluorobenzamide is sourced from PubChem (CID 7760043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).