[(Z)-4-(benzenesulfonyl)-3,4,4-trifluorobut-2-enyl]azanium

C10H11F3NO2S+ — CID 155585088

IUPAC[(Z)-4-(benzenesulfonyl)-3,4,4-trifluorobut-2-enyl]azanium
SMILES[NH3+]C/C=C(\F)C(F)(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H10F3NO2S/c11-9(6-7-14)10(12,13)17(15,16)8-4-2-1-3-5-8/h1-6H,7,14H2/p+1/b9-6-
InChIKeyCQBDTOILYHIRIW-TWGQIWQCSA-O
MW266.26 g/mol
LogP1.15
Rot. Bonds4

About [(Z)-4-(benzenesulfonyl)-3,4,4-trifluorobut-2-enyl]azanium

[(Z)-4-(benzenesulfonyl)-3,4,4-trifluorobut-2-enyl]azanium (PubChem CID 155585088) has the molecular formula C10H11F3NO2S+ and a molecular weight of 266.26 g/mol. Its IUPAC name is [(Z)-4-(benzenesulfonyl)-3,4,4-trifluorobut-2-enyl]azanium.

Molecular Properties

Compound Name[(Z)-4-(benzenesulfonyl)-3,4,4-trifluorobut-2-enyl]azanium
PubChem CID155585088
Molecular FormulaC10H11F3NO2S+
Molecular Weight266.26 g/mol
Exact Mass266.05
IUPAC Name[(Z)-4-(benzenesulfonyl)-3,4,4-trifluorobut-2-enyl]azanium
SMILES[NH3+]C/C=C(\F)C(F)(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H10F3NO2S/c11-9(6-7-14)10(12,13)17(15,16)8-4-2-1-3-5-8/h1-6H,7,14H2/p+1/b9-6-
InChIKeyCQBDTOILYHIRIW-TWGQIWQCSA-O
XLogP1.15
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(Z)-4-(benzenesulfonyl)-3,4,4-trifluorobut-2-enyl]azanium?
The IUPAC name of [(Z)-4-(benzenesulfonyl)-3,4,4-trifluorobut-2-enyl]azanium (CID 155585088) is [(Z)-4-(benzenesulfonyl)-3,4,4-trifluorobut-2-enyl]azanium.
What is the SMILES notation for [(Z)-4-(benzenesulfonyl)-3,4,4-trifluorobut-2-enyl]azanium?
The canonical SMILES for [(Z)-4-(benzenesulfonyl)-3,4,4-trifluorobut-2-enyl]azanium is [NH3+]C/C=C(\F)C(F)(F)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(Z)-4-(benzenesulfonyl)-3,4,4-trifluorobut-2-enyl]azanium?
The InChIKey is CQBDTOILYHIRIW-TWGQIWQCSA-O. The full InChI is InChI=1S/C10H10F3NO2S/c11-9(6-7-14)10(12,13)17(15,16)8-4-2-1-3-5-8/h1-6H,7,14H2/p+1/b9-6-.
What are the key properties of [(Z)-4-(benzenesulfonyl)-3,4,4-trifluorobut-2-enyl]azanium?
[(Z)-4-(benzenesulfonyl)-3,4,4-trifluorobut-2-enyl]azanium has a molecular weight of 266.26 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-(benzenesulfonyl)-3,4,4-trifluorobut-2-enyl]azanium is sourced from PubChem (CID 155585088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).