5-chloro-4-(3,4-difluorophenoxy)-2-fluoro-N-sulfamoylbenzamide

C13H8ClF3N2O4S — CID 72949614

IUPAC5-chloro-4-(3,4-difluorophenoxy)-2-fluoro-N-sulfamoylbenzamide
SMILESNS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2ccc(F)c(F)c2)cc1F
InChIInChI=1S/C13H8ClF3N2O4S/c14-8-4-7(13(20)19-24(18,21)22)10(16)5-12(8)23-6-1-2-9(15)11(17)3-6/h1-5H,(H,19,20)(H2,18,21,22)
InChIKeyUIWGCCRSVHAJPW-UHFFFAOYSA-N
MW380.73 g/mol
LogP2.48
Rot. Bonds4

About 5-chloro-4-(3,4-difluorophenoxy)-2-fluoro-N-sulfamoylbenzamide

5-chloro-4-(3,4-difluorophenoxy)-2-fluoro-N-sulfamoylbenzamide (PubChem CID 72949614) has the molecular formula C13H8ClF3N2O4S and a molecular weight of 380.73 g/mol. Its IUPAC name is 5-chloro-4-(3,4-difluorophenoxy)-2-fluoro-N-sulfamoylbenzamide.

Molecular Properties

Compound Name5-chloro-4-(3,4-difluorophenoxy)-2-fluoro-N-sulfamoylbenzamide
PubChem CID72949614
Molecular FormulaC13H8ClF3N2O4S
Molecular Weight380.73 g/mol
Exact Mass379.98
IUPAC Name5-chloro-4-(3,4-difluorophenoxy)-2-fluoro-N-sulfamoylbenzamide
SMILESNS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2ccc(F)c(F)c2)cc1F
InChIInChI=1S/C13H8ClF3N2O4S/c14-8-4-7(13(20)19-24(18,21)22)10(16)5-12(8)23-6-1-2-9(15)11(17)3-6/h1-5H,(H,19,20)(H2,18,21,22)
InChIKeyUIWGCCRSVHAJPW-UHFFFAOYSA-N
XLogP2.48
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.73
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3,4-difluorophenoxy)-2-fluoro-N-sulfamoylbenzamide?
The IUPAC name of 5-chloro-4-(3,4-difluorophenoxy)-2-fluoro-N-sulfamoylbenzamide (CID 72949614) is 5-chloro-4-(3,4-difluorophenoxy)-2-fluoro-N-sulfamoylbenzamide.
What is the SMILES notation for 5-chloro-4-(3,4-difluorophenoxy)-2-fluoro-N-sulfamoylbenzamide?
The canonical SMILES for 5-chloro-4-(3,4-difluorophenoxy)-2-fluoro-N-sulfamoylbenzamide is NS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2ccc(F)c(F)c2)cc1F.
What is the InChIKey of 5-chloro-4-(3,4-difluorophenoxy)-2-fluoro-N-sulfamoylbenzamide?
The InChIKey is UIWGCCRSVHAJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O4S/c14-8-4-7(13(20)19-24(18,21)22)10(16)5-12(8)23-6-1-2-9(15)11(17)3-6/h1-5H,(H,19,20)(H2,18,21,22).
What are the key properties of 5-chloro-4-(3,4-difluorophenoxy)-2-fluoro-N-sulfamoylbenzamide?
5-chloro-4-(3,4-difluorophenoxy)-2-fluoro-N-sulfamoylbenzamide has a molecular weight of 380.73 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3,4-difluorophenoxy)-2-fluoro-N-sulfamoylbenzamide is sourced from PubChem (CID 72949614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).