2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan

C14H16O3S — CID 134965233

IUPAC2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan
SMILESCc1ccc(S(=O)(=O)C[C@@H](C)c2ccco2)cc1
InChIInChI=1S/C14H16O3S/c1-11-5-7-13(8-6-11)18(15,16)10-12(2)14-4-3-9-17-14/h3-9,12H,10H2,1-2H3/t12-/m1/s1
InChIKeyPJQKDSNXVJKVCF-GFCCVEGCSA-N
MW264.35 g/mol
LogP3.17
Rot. Bonds4

About 2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan

2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan (PubChem CID 134965233) has the molecular formula C14H16O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan.

Molecular Properties

Compound Name2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan
PubChem CID134965233
Molecular FormulaC14H16O3S
Molecular Weight264.35 g/mol
Exact Mass264.08
IUPAC Name2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan
SMILESCc1ccc(S(=O)(=O)C[C@@H](C)c2ccco2)cc1
InChIInChI=1S/C14H16O3S/c1-11-5-7-13(8-6-11)18(15,16)10-12(2)14-4-3-9-17-14/h3-9,12H,10H2,1-2H3/t12-/m1/s1
InChIKeyPJQKDSNXVJKVCF-GFCCVEGCSA-N
XLogP3.17
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 15174185
1-(furan-2-ylmethyl)-3-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]urea
CID 99823433
1-(2,2-diiodoethylsulfonyl)-4-methylbenzene
CID 10993804
(2R)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpropan-2-amine
CID 169438793
N-[(2R)-2-(furan-2-yl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 101158085
4-methyl-N-[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 129406222
N-[(R)-furan-2-yl-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)methyl]-4-methylbenzenesulfonamide
CID 15941469
N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide
CID 7268396
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide
CID 7268134
2-hydroxy-1-[3-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]phenyl]ethanone
CID 58417517
2-[(2R)-1-nitropropan-2-yl]furan
CID 11159438
1-(2,3-dibromopropylsulfonyl)-4-methylbenzene
CID 15697980

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan?
The IUPAC name of 2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan (CID 134965233) is 2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan.
What is the SMILES notation for 2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan?
The canonical SMILES for 2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan is Cc1ccc(S(=O)(=O)C[C@@H](C)c2ccco2)cc1.
What is the InChIKey of 2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan?
The InChIKey is PJQKDSNXVJKVCF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16O3S/c1-11-5-7-13(8-6-11)18(15,16)10-12(2)14-4-3-9-17-14/h3-9,12H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan?
2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan has a molecular weight of 264.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan is sourced from PubChem (CID 134965233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).