2-fluoro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene

C13H10F4N2O2S — CID 11771970

IUPAC2-fluoro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene
SMILESNS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F
InChIInChI=1S/C13H10F4N2O2S/c14-11-7-9(3-6-12(11)19-22(18,20)21)8-1-4-10(5-2-8)13(15,16)17/h1-7,19H,(H2,18,20,21)
InChIKeyMWFNIZQJNQOVRR-UHFFFAOYSA-N
MW334.29 g/mol
LogP3.13
Rot. Bonds3

About 2-fluoro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene

2-fluoro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 11771970) has the molecular formula C13H10F4N2O2S and a molecular weight of 334.29 g/mol. Its IUPAC name is 2-fluoro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene
PubChem CID11771970
Molecular FormulaC13H10F4N2O2S
Molecular Weight334.29 g/mol
Exact Mass334.04
IUPAC Name2-fluoro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene
SMILESNS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F
InChIInChI=1S/C13H10F4N2O2S/c14-11-7-9(3-6-12(11)19-22(18,20)21)8-1-4-10(5-2-8)13(15,16)17/h1-7,19H,(H2,18,20,21)
InChIKeyMWFNIZQJNQOVRR-UHFFFAOYSA-N
XLogP3.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2-fluoro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene (CID 11771970) is 2-fluoro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2-fluoro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2-fluoro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene is NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F.
What is the InChIKey of 2-fluoro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is MWFNIZQJNQOVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2O2S/c14-11-7-9(3-6-12(11)19-22(18,20)21)8-1-4-10(5-2-8)13(15,16)17/h1-7,19H,(H2,18,20,21).
What are the key properties of 2-fluoro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene?
2-fluoro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 334.29 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(sulfamoylamino)-4-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 11771970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).