4-fluoro-3-(1,3-oxazol-4-yl)benzenesulfonyl chloride

C9H5ClFNO3S — CID 86642048

IUPAC4-fluoro-3-(1,3-oxazol-4-yl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(F)c(-c2cocn2)c1
InChIInChI=1S/C9H5ClFNO3S/c10-16(13,14)6-1-2-8(11)7(3-6)9-4-15-5-12-9/h1-5H
InChIKeyRKHWICAZYPDZAT-UHFFFAOYSA-N
MW261.66 g/mol
LogP2.41
Rot. Bonds2

About 4-fluoro-3-(1,3-oxazol-4-yl)benzenesulfonyl chloride

4-fluoro-3-(1,3-oxazol-4-yl)benzenesulfonyl chloride (PubChem CID 86642048) has the molecular formula C9H5ClFNO3S and a molecular weight of 261.66 g/mol. Its IUPAC name is 4-fluoro-3-(1,3-oxazol-4-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-fluoro-3-(1,3-oxazol-4-yl)benzenesulfonyl chloride
PubChem CID86642048
Molecular FormulaC9H5ClFNO3S
Molecular Weight261.66 g/mol
Exact Mass260.97
IUPAC Name4-fluoro-3-(1,3-oxazol-4-yl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(F)c(-c2cocn2)c1
InChIInChI=1S/C9H5ClFNO3S/c10-16(13,14)6-1-2-8(11)7(3-6)9-4-15-5-12-9/h1-5H
InChIKeyRKHWICAZYPDZAT-UHFFFAOYSA-N
XLogP2.41
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.66
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(1,3-oxazol-4-yl)benzenesulfonyl chloride?
The IUPAC name of 4-fluoro-3-(1,3-oxazol-4-yl)benzenesulfonyl chloride (CID 86642048) is 4-fluoro-3-(1,3-oxazol-4-yl)benzenesulfonyl chloride.
What is the SMILES notation for 4-fluoro-3-(1,3-oxazol-4-yl)benzenesulfonyl chloride?
The canonical SMILES for 4-fluoro-3-(1,3-oxazol-4-yl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(F)c(-c2cocn2)c1.
What is the InChIKey of 4-fluoro-3-(1,3-oxazol-4-yl)benzenesulfonyl chloride?
The InChIKey is RKHWICAZYPDZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNO3S/c10-16(13,14)6-1-2-8(11)7(3-6)9-4-15-5-12-9/h1-5H.
What are the key properties of 4-fluoro-3-(1,3-oxazol-4-yl)benzenesulfonyl chloride?
4-fluoro-3-(1,3-oxazol-4-yl)benzenesulfonyl chloride has a molecular weight of 261.66 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(1,3-oxazol-4-yl)benzenesulfonyl chloride is sourced from PubChem (CID 86642048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).