(4S)-4-fluorocyclohexa-1,5-diene-1-sulfonyl chloride

C6H6ClFO2S — CID 163511445

IUPAC(4S)-4-fluorocyclohexa-1,5-diene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1=CC[C@H](F)C=C1
InChIInChI=1S/C6H6ClFO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1,3-5H,2H2/t5-/m1/s1
InChIKeyDDAVBKWPJFUDFX-RXMQYKEDSA-N
MW196.63 g/mol
LogP1.74
Rot. Bonds1

About (4S)-4-fluorocyclohexa-1,5-diene-1-sulfonyl chloride

(4S)-4-fluorocyclohexa-1,5-diene-1-sulfonyl chloride (PubChem CID 163511445) has the molecular formula C6H6ClFO2S and a molecular weight of 196.63 g/mol. Its IUPAC name is (4S)-4-fluorocyclohexa-1,5-diene-1-sulfonyl chloride.

Molecular Properties

Compound Name(4S)-4-fluorocyclohexa-1,5-diene-1-sulfonyl chloride
PubChem CID163511445
Molecular FormulaC6H6ClFO2S
Molecular Weight196.63 g/mol
Exact Mass195.98
IUPAC Name(4S)-4-fluorocyclohexa-1,5-diene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1=CC[C@H](F)C=C1
InChIInChI=1S/C6H6ClFO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1,3-5H,2H2/t5-/m1/s1
InChIKeyDDAVBKWPJFUDFX-RXMQYKEDSA-N
XLogP1.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Sulfonylbenzene
CID 18756164
Cyclohexa-1,3-diene-1-sulfonyl chloride
CID 23194369
2-(Trifluoromethylsulfonyl)cyclohexa-1,3-diene
CID 10976761
1-Fluorocyclohexa-2,4-diene-1-sulfonamide
CID 67459447
4-Fluorocyclohexa-2,4-diene-1-sulfinate
CID 70301961
3-(Trifluoromethyl)cyclohexa-1,5-diene-1-sulfonyl chloride
CID 87084600
6-Chloro-6-fluorocyclohexa-2,4-diene-1-sulfonyl chloride
CID 87548713
1,4,5-Trifluoro-6-methylcyclohexa-2,4-diene-1-sulfonyl chloride
CID 88329436
2,4-Difluorocyclohexa-1,5-diene-1-sulfonic acid
CID 88992426
2,4,5-Trifluorocyclohexa-1,5-diene-1-sulfonic acid
CID 89037647
2,3,4-Trifluorocyclohexa-1,5-diene-1-sulfonic acid
CID 89038049
4-Fluorocyclohexa-1,5-diene-1-sulfinate
CID 89057958

Frequently Asked Questions

What is the IUPAC name of (4S)-4-fluorocyclohexa-1,5-diene-1-sulfonyl chloride?
The IUPAC name of (4S)-4-fluorocyclohexa-1,5-diene-1-sulfonyl chloride (CID 163511445) is (4S)-4-fluorocyclohexa-1,5-diene-1-sulfonyl chloride.
What is the SMILES notation for (4S)-4-fluorocyclohexa-1,5-diene-1-sulfonyl chloride?
The canonical SMILES for (4S)-4-fluorocyclohexa-1,5-diene-1-sulfonyl chloride is O=S(=O)(Cl)C1=CC[C@H](F)C=C1.
What is the InChIKey of (4S)-4-fluorocyclohexa-1,5-diene-1-sulfonyl chloride?
The InChIKey is DDAVBKWPJFUDFX-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H6ClFO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1,3-5H,2H2/t5-/m1/s1.
What are the key properties of (4S)-4-fluorocyclohexa-1,5-diene-1-sulfonyl chloride?
(4S)-4-fluorocyclohexa-1,5-diene-1-sulfonyl chloride has a molecular weight of 196.63 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-fluorocyclohexa-1,5-diene-1-sulfonyl chloride is sourced from PubChem (CID 163511445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).