5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride

C10H12ClFO3S — CID 78986424

IUPAC5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride
SMILESCC(C)COc1ccc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H12ClFO3S/c1-7(2)6-15-9-4-3-8(12)5-10(9)16(11,13)14/h3-5,7H,6H2,1-2H3
InChIKeyCGRNDWBOLIYGKZ-UHFFFAOYSA-N
MW266.72 g/mol
LogP2.79
Rot. Bonds4

About 5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride

5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride (PubChem CID 78986424) has the molecular formula C10H12ClFO3S and a molecular weight of 266.72 g/mol. Its IUPAC name is 5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride
PubChem CID78986424
Molecular FormulaC10H12ClFO3S
Molecular Weight266.72 g/mol
Exact Mass266.02
IUPAC Name5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride
SMILESCC(C)COc1ccc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H12ClFO3S/c1-7(2)6-15-9-4-3-8(12)5-10(9)16(11,13)14/h3-5,7H,6H2,1-2H3
InChIKeyCGRNDWBOLIYGKZ-UHFFFAOYSA-N
XLogP2.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-pentoxybenzenesulfonyl chloride
CID 62104235
3,5-difluoro-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 82915058
2-(3-ethylsulfonylpropoxy)-5-fluorobenzenesulfonyl chloride
CID 65094135
5-fluoro-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzenesulfonyl chloride
CID 82910757
5-fluoro-2-(3-methoxy-3-methylbutoxy)benzenesulfonyl chloride
CID 103020699
5-fluoro-2-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
CID 82910104
5-fluoro-2-(4,4,4-trifluorobutoxy)benzenesulfonyl chloride
CID 113326287
5-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzenesulfonyl chloride
CID 103409266
5-fluoro-2-pent-4-enoxybenzenesulfonyl chloride
CID 82910510
2-[(2-bromo-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
CID 62104790
5-fluoro-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzenesulfonyl chloride
CID 82910941
5-fluoro-2-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride
CID 82910105

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride?
The IUPAC name of 5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride (CID 78986424) is 5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride.
What is the SMILES notation for 5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride?
The canonical SMILES for 5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride is CC(C)COc1ccc(F)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride?
The InChIKey is CGRNDWBOLIYGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO3S/c1-7(2)6-15-9-4-3-8(12)5-10(9)16(11,13)14/h3-5,7H,6H2,1-2H3.
What are the key properties of 5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride?
5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride has a molecular weight of 266.72 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride is sourced from PubChem (CID 78986424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).