5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-sulfamoylbenzamide

C14H8Cl2F4N2O4S — CID 71626757

IUPAC5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-sulfamoylbenzamide
SMILESNS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1F
InChIInChI=1S/C14H8Cl2F4N2O4S/c15-9-2-1-6(3-8(9)14(18,19)20)26-12-5-11(17)7(4-10(12)16)13(23)22-27(21,24)25/h1-5H,(H,22,23)(H2,21,24,25)
InChIKeyCFEBBMORLQYWEN-UHFFFAOYSA-N
MW447.19 g/mol
LogP3.88
Rot. Bonds4

About 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-sulfamoylbenzamide

5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-sulfamoylbenzamide (PubChem CID 71626757) has the molecular formula C14H8Cl2F4N2O4S and a molecular weight of 447.19 g/mol. Its IUPAC name is 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-sulfamoylbenzamide.

Molecular Properties

Compound Name5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-sulfamoylbenzamide
PubChem CID71626757
Molecular FormulaC14H8Cl2F4N2O4S
Molecular Weight447.19 g/mol
Exact Mass445.95
IUPAC Name5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-sulfamoylbenzamide
SMILESNS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1F
InChIInChI=1S/C14H8Cl2F4N2O4S/c15-9-2-1-6(3-8(9)14(18,19)20)26-12-5-11(17)7(4-10(12)16)13(23)22-27(21,24)25/h1-5H,(H,22,23)(H2,21,24,25)
InChIKeyCFEBBMORLQYWEN-UHFFFAOYSA-N
XLogP3.88
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.19
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-sulfamoylbenzamide?
The IUPAC name of 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-sulfamoylbenzamide (CID 71626757) is 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-sulfamoylbenzamide.
What is the SMILES notation for 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-sulfamoylbenzamide?
The canonical SMILES for 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-sulfamoylbenzamide is NS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1F.
What is the InChIKey of 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-sulfamoylbenzamide?
The InChIKey is CFEBBMORLQYWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F4N2O4S/c15-9-2-1-6(3-8(9)14(18,19)20)26-12-5-11(17)7(4-10(12)16)13(23)22-27(21,24)25/h1-5H,(H,22,23)(H2,21,24,25).
What are the key properties of 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-sulfamoylbenzamide?
5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-sulfamoylbenzamide has a molecular weight of 447.19 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-N-sulfamoylbenzamide is sourced from PubChem (CID 71626757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).