1-fluoro-3-pentan-2-ylsulfonylbenzene

C11H15FO2S — CID 107888330

IUPAC1-fluoro-3-pentan-2-ylsulfonylbenzene
SMILESCCCC(C)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H15FO2S/c1-3-5-9(2)15(13,14)11-7-4-6-10(12)8-11/h4,6-9H,3,5H2,1-2H3
InChIKeyVDQTUADDXNUCRH-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.79
Rot. Bonds4

About 1-fluoro-3-pentan-2-ylsulfonylbenzene

1-fluoro-3-pentan-2-ylsulfonylbenzene (PubChem CID 107888330) has the molecular formula C11H15FO2S and a molecular weight of 230.30 g/mol. Its IUPAC name is 1-fluoro-3-pentan-2-ylsulfonylbenzene.

Molecular Properties

Compound Name1-fluoro-3-pentan-2-ylsulfonylbenzene
PubChem CID107888330
Molecular FormulaC11H15FO2S
Molecular Weight230.30 g/mol
Exact Mass230.08
IUPAC Name1-fluoro-3-pentan-2-ylsulfonylbenzene
SMILESCCCC(C)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H15FO2S/c1-3-5-9(2)15(13,14)11-7-4-6-10(12)8-11/h4,6-9H,3,5H2,1-2H3
InChIKeyVDQTUADDXNUCRH-UHFFFAOYSA-N
XLogP2.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-pentan-2-ylsulfonylaniline
CID 107889539
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CID 113220115
ethyl 3-fluorobenzenesulfonate
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N-(2-aminobutyl)-3-fluorobenzenesulfonamide
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6-(3-fluorophenyl)sulfonylhexan-2-ol
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(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
3-fluoro-4-pentan-2-ylsulfonylaniline
CID 107889499
1-[1-(3-fluorophenyl)sulfonylcyclopropyl]ethanamine
CID 115045002
1-bromo-3-[1-(3-bromophenyl)sulfonylbutylsulfonyl]benzene
CID 118627455
N-[(2R)-2-(ethylamino)propyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120664651
1-fluoro-3-[2-(3-fluorophenyl)sulfonylpropan-2-ylsulfonyl]benzene
CID 122424196

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-pentan-2-ylsulfonylbenzene?
The IUPAC name of 1-fluoro-3-pentan-2-ylsulfonylbenzene (CID 107888330) is 1-fluoro-3-pentan-2-ylsulfonylbenzene.
What is the SMILES notation for 1-fluoro-3-pentan-2-ylsulfonylbenzene?
The canonical SMILES for 1-fluoro-3-pentan-2-ylsulfonylbenzene is CCCC(C)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 1-fluoro-3-pentan-2-ylsulfonylbenzene?
The InChIKey is VDQTUADDXNUCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2S/c1-3-5-9(2)15(13,14)11-7-4-6-10(12)8-11/h4,6-9H,3,5H2,1-2H3.
What are the key properties of 1-fluoro-3-pentan-2-ylsulfonylbenzene?
1-fluoro-3-pentan-2-ylsulfonylbenzene has a molecular weight of 230.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-pentan-2-ylsulfonylbenzene is sourced from PubChem (CID 107888330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).