[4-(2-chlorophenyl)sulfonyl-3-fluorobut-2-enyl]azanium

C10H12ClFNO2S+ — CID 163490559

IUPAC[4-(2-chlorophenyl)sulfonyl-3-fluorobut-2-enyl]azanium
SMILES[NH3+]CC=C(F)CS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C10H11ClFNO2S/c11-9-3-1-2-4-10(9)16(14,15)7-8(12)5-6-13/h1-5H,6-7,13H2/p+1
InChIKeyCMGNBEQXWZRNBD-UHFFFAOYSA-O
MW264.73 g/mol
LogP1.21
Rot. Bonds4

About [4-(2-chlorophenyl)sulfonyl-3-fluorobut-2-enyl]azanium

[4-(2-chlorophenyl)sulfonyl-3-fluorobut-2-enyl]azanium (PubChem CID 163490559) has the molecular formula C10H12ClFNO2S+ and a molecular weight of 264.73 g/mol. Its IUPAC name is [4-(2-chlorophenyl)sulfonyl-3-fluorobut-2-enyl]azanium.

Molecular Properties

Compound Name[4-(2-chlorophenyl)sulfonyl-3-fluorobut-2-enyl]azanium
PubChem CID163490559
Molecular FormulaC10H12ClFNO2S+
Molecular Weight264.73 g/mol
Exact Mass264.03
IUPAC Name[4-(2-chlorophenyl)sulfonyl-3-fluorobut-2-enyl]azanium
SMILES[NH3+]CC=C(F)CS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C10H11ClFNO2S/c11-9-3-1-2-4-10(9)16(14,15)7-8(12)5-6-13/h1-5H,6-7,13H2/p+1
InChIKeyCMGNBEQXWZRNBD-UHFFFAOYSA-O
XLogP1.21
TPSA61.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)sulfonyl-3-fluorobut-2-enyl]azanium?
The IUPAC name of [4-(2-chlorophenyl)sulfonyl-3-fluorobut-2-enyl]azanium (CID 163490559) is [4-(2-chlorophenyl)sulfonyl-3-fluorobut-2-enyl]azanium.
What is the SMILES notation for [4-(2-chlorophenyl)sulfonyl-3-fluorobut-2-enyl]azanium?
The canonical SMILES for [4-(2-chlorophenyl)sulfonyl-3-fluorobut-2-enyl]azanium is [NH3+]CC=C(F)CS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of [4-(2-chlorophenyl)sulfonyl-3-fluorobut-2-enyl]azanium?
The InChIKey is CMGNBEQXWZRNBD-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H11ClFNO2S/c11-9-3-1-2-4-10(9)16(14,15)7-8(12)5-6-13/h1-5H,6-7,13H2/p+1.
What are the key properties of [4-(2-chlorophenyl)sulfonyl-3-fluorobut-2-enyl]azanium?
[4-(2-chlorophenyl)sulfonyl-3-fluorobut-2-enyl]azanium has a molecular weight of 264.73 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)sulfonyl-3-fluorobut-2-enyl]azanium is sourced from PubChem (CID 163490559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).