N-(3,4-difluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide

C16H16F2N2O3S — CID 26694436

IUPACN-(3,4-difluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H16F2N2O3S/c1-10(2)20-24(22,23)13-5-3-4-11(8-13)16(21)19-12-6-7-14(17)15(18)9-12/h3-10,20H,1-2H3,(H,19,21)
InChIKeyOAHLQLRLLHSCPU-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.90
Rot. Bonds5

About N-(3,4-difluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide

N-(3,4-difluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 26694436) has the molecular formula C16H16F2N2O3S and a molecular weight of 354.38 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID26694436
Molecular FormulaC16H16F2N2O3S
Molecular Weight354.38 g/mol
Exact Mass354.08
IUPAC NameN-(3,4-difluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H16F2N2O3S/c1-10(2)20-24(22,23)13-5-3-4-11(8-13)16(21)19-12-6-7-14(17)15(18)9-12/h3-10,20H,1-2H3,(H,19,21)
InChIKeyOAHLQLRLLHSCPU-UHFFFAOYSA-N
XLogP2.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide (CID 26694436) is N-(3,4-difluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is OAHLQLRLLHSCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S/c1-10(2)20-24(22,23)13-5-3-4-11(8-13)16(21)19-12-6-7-14(17)15(18)9-12/h3-10,20H,1-2H3,(H,19,21).
What are the key properties of N-(3,4-difluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide?
N-(3,4-difluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 354.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 26694436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).