3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-5-sulfamoylbenzamide

C16H12F6N2O4S — CID 23073718

IUPAC3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1c(C(N)=O)cc(S(N)(=O)=O)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H12F6N2O4S/c1-28-13-11(5-10(29(24,26)27)6-12(13)14(23)25)7-2-8(15(17,18)19)4-9(3-7)16(20,21)22/h2-6H,1H3,(H2,23,25)(H2,24,26,27)
InChIKeyZBFLRGSFWLWHGG-UHFFFAOYSA-N
MW442.34 g/mol
LogP3.15
Rot. Bonds4

About 3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-5-sulfamoylbenzamide

3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-5-sulfamoylbenzamide (PubChem CID 23073718) has the molecular formula C16H12F6N2O4S and a molecular weight of 442.34 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-5-sulfamoylbenzamide
PubChem CID23073718
Molecular FormulaC16H12F6N2O4S
Molecular Weight442.34 g/mol
Exact Mass442.04
IUPAC Name3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1c(C(N)=O)cc(S(N)(=O)=O)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H12F6N2O4S/c1-28-13-11(5-10(29(24,26)27)6-12(13)14(23)25)7-2-8(15(17,18)19)4-9(3-7)16(20,21)22/h2-6H,1H3,(H2,23,25)(H2,24,26,27)
InChIKeyZBFLRGSFWLWHGG-UHFFFAOYSA-N
XLogP3.15
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-5-sulfamoylbenzamide?
The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-5-sulfamoylbenzamide (CID 23073718) is 3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-5-sulfamoylbenzamide.
What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-5-sulfamoylbenzamide?
The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-5-sulfamoylbenzamide is COc1c(C(N)=O)cc(S(N)(=O)=O)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-5-sulfamoylbenzamide?
The InChIKey is ZBFLRGSFWLWHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6N2O4S/c1-28-13-11(5-10(29(24,26)27)6-12(13)14(23)25)7-2-8(15(17,18)19)4-9(3-7)16(20,21)22/h2-6H,1H3,(H2,23,25)(H2,24,26,27).
What are the key properties of 3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-5-sulfamoylbenzamide?
3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-5-sulfamoylbenzamide has a molecular weight of 442.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(trifluoromethyl)phenyl]-2-methoxy-5-sulfamoylbenzamide is sourced from PubChem (CID 23073718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).