1-(2,6-difluorophenyl)-3-(4-sulfamoylphenyl)urea

C13H11F2N3O3S — CID 56836511

IUPAC1-(2,6-difluorophenyl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C13H11F2N3O3S/c14-10-2-1-3-11(15)12(10)18-13(19)17-8-4-6-9(7-5-8)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
InChIKeyJNEYBCFAVQEAHD-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.26
Rot. Bonds3

About 1-(2,6-difluorophenyl)-3-(4-sulfamoylphenyl)urea

1-(2,6-difluorophenyl)-3-(4-sulfamoylphenyl)urea (PubChem CID 56836511) has the molecular formula C13H11F2N3O3S and a molecular weight of 327.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(4-sulfamoylphenyl)urea
PubChem CID56836511
Molecular FormulaC13H11F2N3O3S
Molecular Weight327.31 g/mol
Exact Mass327.05
IUPAC Name1-(2,6-difluorophenyl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C13H11F2N3O3S/c14-10-2-1-3-11(15)12(10)18-13(19)17-8-4-6-9(7-5-8)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
InChIKeyJNEYBCFAVQEAHD-UHFFFAOYSA-N
XLogP2.26
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(4-sulfamoylphenyl)urea (CID 56836511) is 1-(2,6-difluorophenyl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)cccc2F)cc1.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is JNEYBCFAVQEAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O3S/c14-10-2-1-3-11(15)12(10)18-13(19)17-8-4-6-9(7-5-8)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19).
What are the key properties of 1-(2,6-difluorophenyl)-3-(4-sulfamoylphenyl)urea?
1-(2,6-difluorophenyl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 327.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 56836511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).