2-[4-(sulfamoylamino)phenyl]-5-(trifluoromethyl)pyridine

C12H10F3N3O2S — CID 44590549

IUPAC2-[4-(sulfamoylamino)phenyl]-5-(trifluoromethyl)pyridine
SMILESNS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)9-3-6-11(17-7-9)8-1-4-10(5-2-8)18-21(16,19)20/h1-7,18H,(H2,16,19,20)
InChIKeyBXKQWJYIVJXTHY-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.38
Rot. Bonds3

About 2-[4-(sulfamoylamino)phenyl]-5-(trifluoromethyl)pyridine

2-[4-(sulfamoylamino)phenyl]-5-(trifluoromethyl)pyridine (PubChem CID 44590549) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 2-[4-(sulfamoylamino)phenyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[4-(sulfamoylamino)phenyl]-5-(trifluoromethyl)pyridine
PubChem CID44590549
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name2-[4-(sulfamoylamino)phenyl]-5-(trifluoromethyl)pyridine
SMILESNS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)9-3-6-11(17-7-9)8-1-4-10(5-2-8)18-21(16,19)20/h1-7,18H,(H2,16,19,20)
InChIKeyBXKQWJYIVJXTHY-UHFFFAOYSA-N
XLogP2.38
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(sulfamoylamino)phenyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[4-(sulfamoylamino)phenyl]-5-(trifluoromethyl)pyridine (CID 44590549) is 2-[4-(sulfamoylamino)phenyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[4-(sulfamoylamino)phenyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[4-(sulfamoylamino)phenyl]-5-(trifluoromethyl)pyridine is NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 2-[4-(sulfamoylamino)phenyl]-5-(trifluoromethyl)pyridine?
The InChIKey is BXKQWJYIVJXTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c13-12(14,15)9-3-6-11(17-7-9)8-1-4-10(5-2-8)18-21(16,19)20/h1-7,18H,(H2,16,19,20).
What are the key properties of 2-[4-(sulfamoylamino)phenyl]-5-(trifluoromethyl)pyridine?
2-[4-(sulfamoylamino)phenyl]-5-(trifluoromethyl)pyridine has a molecular weight of 317.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(sulfamoylamino)phenyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 44590549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).