N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide

C21H17F3N2O3S — CID 4079769

IUPACN-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1F
InChIInChI=1S/C21H17F3N2O3S/c1-2-26(16-6-4-3-5-7-16)30(28,29)20-12-14(8-10-18(20)23)21(27)25-15-9-11-17(22)19(24)13-15/h3-13H,2H2,1H3,(H,25,27)
InChIKeyAXFFTRVEQCPYTD-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.57
Rot. Bonds6

About N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide

N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide (PubChem CID 4079769) has the molecular formula C21H17F3N2O3S and a molecular weight of 434.44 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide
PubChem CID4079769
Molecular FormulaC21H17F3N2O3S
Molecular Weight434.44 g/mol
Exact Mass434.09
IUPAC NameN-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1F
InChIInChI=1S/C21H17F3N2O3S/c1-2-26(16-6-4-3-5-7-16)30(28,29)20-12-14(8-10-18(20)23)21(27)25-15-9-11-17(22)19(24)13-15/h3-13H,2H2,1H3,(H,25,27)
InChIKeyAXFFTRVEQCPYTD-UHFFFAOYSA-N
XLogP4.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide (CID 4079769) is N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide is CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1F.
What is the InChIKey of N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide?
The InChIKey is AXFFTRVEQCPYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3S/c1-2-26(16-6-4-3-5-7-16)30(28,29)20-12-14(8-10-18(20)23)21(27)25-15-9-11-17(22)19(24)13-15/h3-13H,2H2,1H3,(H,25,27).
What are the key properties of N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide?
N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide has a molecular weight of 434.44 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide is sourced from PubChem (CID 4079769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).