1,3-difluoro-2-(sulfamoylamino)-5-[4-(trifluoromethyl)phenyl]benzene

C13H9F5N2O2S — CID 11163979

IUPAC1,3-difluoro-2-(sulfamoylamino)-5-[4-(trifluoromethyl)phenyl]benzene
SMILESNS(=O)(=O)Nc1c(F)cc(-c2ccc(C(F)(F)F)cc2)cc1F
InChIInChI=1S/C13H9F5N2O2S/c14-10-5-8(6-11(15)12(10)20-23(19,21)22)7-1-3-9(4-2-7)13(16,17)18/h1-6,20H,(H2,19,21,22)
InChIKeyRNCQNKXXGGQTJV-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.27
Rot. Bonds3

About 1,3-difluoro-2-(sulfamoylamino)-5-[4-(trifluoromethyl)phenyl]benzene

1,3-difluoro-2-(sulfamoylamino)-5-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 11163979) has the molecular formula C13H9F5N2O2S and a molecular weight of 352.28 g/mol. Its IUPAC name is 1,3-difluoro-2-(sulfamoylamino)-5-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-(sulfamoylamino)-5-[4-(trifluoromethyl)phenyl]benzene
PubChem CID11163979
Molecular FormulaC13H9F5N2O2S
Molecular Weight352.28 g/mol
Exact Mass352.03
IUPAC Name1,3-difluoro-2-(sulfamoylamino)-5-[4-(trifluoromethyl)phenyl]benzene
SMILESNS(=O)(=O)Nc1c(F)cc(-c2ccc(C(F)(F)F)cc2)cc1F
InChIInChI=1S/C13H9F5N2O2S/c14-10-5-8(6-11(15)12(10)20-23(19,21)22)7-1-3-9(4-2-7)13(16,17)18/h1-6,20H,(H2,19,21,22)
InChIKeyRNCQNKXXGGQTJV-UHFFFAOYSA-N
XLogP3.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-(sulfamoylamino)-5-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,3-difluoro-2-(sulfamoylamino)-5-[4-(trifluoromethyl)phenyl]benzene (CID 11163979) is 1,3-difluoro-2-(sulfamoylamino)-5-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,3-difluoro-2-(sulfamoylamino)-5-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,3-difluoro-2-(sulfamoylamino)-5-[4-(trifluoromethyl)phenyl]benzene is NS(=O)(=O)Nc1c(F)cc(-c2ccc(C(F)(F)F)cc2)cc1F.
What is the InChIKey of 1,3-difluoro-2-(sulfamoylamino)-5-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is RNCQNKXXGGQTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F5N2O2S/c14-10-5-8(6-11(15)12(10)20-23(19,21)22)7-1-3-9(4-2-7)13(16,17)18/h1-6,20H,(H2,19,21,22).
What are the key properties of 1,3-difluoro-2-(sulfamoylamino)-5-[4-(trifluoromethyl)phenyl]benzene?
1,3-difluoro-2-(sulfamoylamino)-5-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 352.28 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-(sulfamoylamino)-5-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 11163979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).