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

C13H10F4N2O2S — CID 11244531

IUPAC2-fluoro-4-[4-(sulfamoylamino)phenyl]-1-(trifluoromethyl)benzene
SMILESNS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C13H10F4N2O2S/c14-12-7-9(3-6-11(12)13(15,16)17)8-1-4-10(5-2-8)19-22(18,20)21/h1-7,19H,(H2,18,20,21)
InChIKeyGEMSMTTWZNDMSW-UHFFFAOYSA-N
MW334.29 g/mol
LogP3.13
Rot. Bonds3

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

2-fluoro-4-[4-(sulfamoylamino)phenyl]-1-(trifluoromethyl)benzene (PubChem CID 11244531) has the molecular formula C13H10F4N2O2S and a molecular weight of 334.29 g/mol. Its IUPAC name is 2-fluoro-4-[4-(sulfamoylamino)phenyl]-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-4-[4-(sulfamoylamino)phenyl]-1-(trifluoromethyl)benzene
PubChem CID11244531
Molecular FormulaC13H10F4N2O2S
Molecular Weight334.29 g/mol
Exact Mass334.04
IUPAC Name2-fluoro-4-[4-(sulfamoylamino)phenyl]-1-(trifluoromethyl)benzene
SMILESNS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C13H10F4N2O2S/c14-12-7-9(3-6-11(12)13(15,16)17)8-1-4-10(5-2-8)19-22(18,20)21/h1-7,19H,(H2,18,20,21)
InChIKeyGEMSMTTWZNDMSW-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-4-[4-(sulfamoylamino)phenyl]-1-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-4-[4-(sulfamoylamino)phenyl]-1-(trifluoromethyl)benzene (CID 11244531) is 2-fluoro-4-[4-(sulfamoylamino)phenyl]-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-4-[4-(sulfamoylamino)phenyl]-1-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-4-[4-(sulfamoylamino)phenyl]-1-(trifluoromethyl)benzene is NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-[4-(sulfamoylamino)phenyl]-1-(trifluoromethyl)benzene?
The InChIKey is GEMSMTTWZNDMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2O2S/c14-12-7-9(3-6-11(12)13(15,16)17)8-1-4-10(5-2-8)19-22(18,20)21/h1-7,19H,(H2,18,20,21).
What are the key properties of 2-fluoro-4-[4-(sulfamoylamino)phenyl]-1-(trifluoromethyl)benzene?
2-fluoro-4-[4-(sulfamoylamino)phenyl]-1-(trifluoromethyl)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-4-[4-(sulfamoylamino)phenyl]-1-(trifluoromethyl)benzene is sourced from PubChem (CID 11244531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).