N-[(2,6-difluorophenyl)methyl]-4-sulfamoylbenzamide

C14H12F2N2O3S — CID 4288

IUPACN-[(2,6-difluorophenyl)methyl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCc2c(F)cccc2F)cc1
InChIInChI=1S/C14H12F2N2O3S/c15-12-2-1-3-13(16)11(12)8-18-14(19)9-4-6-10(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)
InChIKeyZFNCKGXGCCDDFN-UHFFFAOYSA-N
MW326.32 g/mol
LogP1.54
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-4-sulfamoylbenzamide

N-[(2,6-difluorophenyl)methyl]-4-sulfamoylbenzamide (PubChem CID 4288) has the molecular formula C14H12F2N2O3S and a molecular weight of 326.32 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-4-sulfamoylbenzamide
PubChem CID4288
Molecular FormulaC14H12F2N2O3S
Molecular Weight326.32 g/mol
Exact Mass326.05
IUPAC NameN-[(2,6-difluorophenyl)methyl]-4-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NCc2c(F)cccc2F)cc1
InChIInChI=1S/C14H12F2N2O3S/c15-12-2-1-3-13(16)11(12)8-18-14(19)9-4-6-10(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)
InChIKeyZFNCKGXGCCDDFN-UHFFFAOYSA-N
XLogP1.54
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-sulfamoylbenzamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-sulfamoylbenzamide (CID 4288) is N-[(2,6-difluorophenyl)methyl]-4-sulfamoylbenzamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-4-sulfamoylbenzamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-4-sulfamoylbenzamide is NS(=O)(=O)c1ccc(C(=O)NCc2c(F)cccc2F)cc1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-4-sulfamoylbenzamide?
The InChIKey is ZFNCKGXGCCDDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3S/c15-12-2-1-3-13(16)11(12)8-18-14(19)9-4-6-10(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-4-sulfamoylbenzamide?
N-[(2,6-difluorophenyl)methyl]-4-sulfamoylbenzamide has a molecular weight of 326.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-4-sulfamoylbenzamide is sourced from PubChem (CID 4288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).