2-(cyclopropylmethoxy)-3-fluorobenzenesulfonyl chloride

C10H10ClFO3S — CID 84711266

IUPAC2-(cyclopropylmethoxy)-3-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(F)c1OCC1CC1
InChIInChI=1S/C10H10ClFO3S/c11-16(13,14)9-3-1-2-8(12)10(9)15-6-7-4-5-7/h1-3,7H,4-6H2
InChIKeyCYSROKSPEUMECC-UHFFFAOYSA-N
MW264.70 g/mol
LogP2.54
Rot. Bonds4

About 2-(cyclopropylmethoxy)-3-fluorobenzenesulfonyl chloride

2-(cyclopropylmethoxy)-3-fluorobenzenesulfonyl chloride (PubChem CID 84711266) has the molecular formula C10H10ClFO3S and a molecular weight of 264.70 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-3-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-3-fluorobenzenesulfonyl chloride
PubChem CID84711266
Molecular FormulaC10H10ClFO3S
Molecular Weight264.70 g/mol
Exact Mass264.00
IUPAC Name2-(cyclopropylmethoxy)-3-fluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(F)c1OCC1CC1
InChIInChI=1S/C10H10ClFO3S/c11-16(13,14)9-3-1-2-8(12)10(9)15-6-7-4-5-7/h1-3,7H,4-6H2
InChIKeyCYSROKSPEUMECC-UHFFFAOYSA-N
XLogP2.54
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.70
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-3-fluorobenzenesulfonyl chloride?
The IUPAC name of 2-(cyclopropylmethoxy)-3-fluorobenzenesulfonyl chloride (CID 84711266) is 2-(cyclopropylmethoxy)-3-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-(cyclopropylmethoxy)-3-fluorobenzenesulfonyl chloride?
The canonical SMILES for 2-(cyclopropylmethoxy)-3-fluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(F)c1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-3-fluorobenzenesulfonyl chloride?
The InChIKey is CYSROKSPEUMECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO3S/c11-16(13,14)9-3-1-2-8(12)10(9)15-6-7-4-5-7/h1-3,7H,4-6H2.
What are the key properties of 2-(cyclopropylmethoxy)-3-fluorobenzenesulfonyl chloride?
2-(cyclopropylmethoxy)-3-fluorobenzenesulfonyl chloride has a molecular weight of 264.70 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-3-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 84711266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).