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

C13H11F3N2O2S — CID 11232325

IUPAC1-[4-(sulfamoylamino)phenyl]-4-(trifluoromethyl)benzene
SMILESNS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C13H11F3N2O2S/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)18-21(17,19)20/h1-8,18H,(H2,17,19,20)
InChIKeyWELQTBDQZUFHMC-UHFFFAOYSA-N
MW316.30 g/mol
LogP2.99
Rot. Bonds3

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

1-[4-(sulfamoylamino)phenyl]-4-(trifluoromethyl)benzene (PubChem CID 11232325) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is 1-[4-(sulfamoylamino)phenyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[4-(sulfamoylamino)phenyl]-4-(trifluoromethyl)benzene
PubChem CID11232325
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC Name1-[4-(sulfamoylamino)phenyl]-4-(trifluoromethyl)benzene
SMILESNS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C13H11F3N2O2S/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)18-21(17,19)20/h1-8,18H,(H2,17,19,20)
InChIKeyWELQTBDQZUFHMC-UHFFFAOYSA-N
XLogP2.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(sulfamoylamino)phenyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[4-(sulfamoylamino)phenyl]-4-(trifluoromethyl)benzene (CID 11232325) is 1-[4-(sulfamoylamino)phenyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[4-(sulfamoylamino)phenyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[4-(sulfamoylamino)phenyl]-4-(trifluoromethyl)benzene is NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[4-(sulfamoylamino)phenyl]-4-(trifluoromethyl)benzene?
The InChIKey is WELQTBDQZUFHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)18-21(17,19)20/h1-8,18H,(H2,17,19,20).
What are the key properties of 1-[4-(sulfamoylamino)phenyl]-4-(trifluoromethyl)benzene?
1-[4-(sulfamoylamino)phenyl]-4-(trifluoromethyl)benzene has a molecular weight of 316.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(sulfamoylamino)phenyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 11232325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).