1-methyl-4-[(2R)-2-phenylmethoxypentyl]sulfonylbenzene

C19H24O3S — CID 11450404

IUPAC1-methyl-4-[(2R)-2-phenylmethoxypentyl]sulfonylbenzene
SMILESCCC[C@H](CS(=O)(=O)c1ccc(C)cc1)OCc1ccccc1
InChIInChI=1S/C19H24O3S/c1-3-7-18(22-14-17-8-5-4-6-9-17)15-23(20,21)19-12-10-16(2)11-13-19/h4-6,8-13,18H,3,7,14-15H2,1-2H3/t18-/m1/s1
InChIKeyUHFCFTHVXKIRQK-GOSISDBHSA-N
MW332.47 g/mol
LogP4.15
Rot. Bonds8

About 1-methyl-4-[(2R)-2-phenylmethoxypentyl]sulfonylbenzene

1-methyl-4-[(2R)-2-phenylmethoxypentyl]sulfonylbenzene (PubChem CID 11450404) has the molecular formula C19H24O3S and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-methyl-4-[(2R)-2-phenylmethoxypentyl]sulfonylbenzene.

Molecular Properties

Compound Name1-methyl-4-[(2R)-2-phenylmethoxypentyl]sulfonylbenzene
PubChem CID11450404
Molecular FormulaC19H24O3S
Molecular Weight332.47 g/mol
Exact Mass332.14
IUPAC Name1-methyl-4-[(2R)-2-phenylmethoxypentyl]sulfonylbenzene
SMILESCCC[C@H](CS(=O)(=O)c1ccc(C)cc1)OCc1ccccc1
InChIInChI=1S/C19H24O3S/c1-3-7-18(22-14-17-8-5-4-6-9-17)15-23(20,21)19-12-10-16(2)11-13-19/h4-6,8-13,18H,3,7,14-15H2,1-2H3/t18-/m1/s1
InChIKeyUHFCFTHVXKIRQK-GOSISDBHSA-N
XLogP4.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl 3-[(4-methylphenyl)sulfonyl]propanoate
CID 891523
4-(Isopropylsulfonyl)benzyl 3-[(4-methylphenyl)sulfonyl]propanoate
CID 1300413
3-Methoxy-3-(4-methylsulfonylphenyl)-1,2-dioxaspiro[5.6]dodec-4-ene
CID 10405764
3-Methoxy-3-(4-methylsulfonylphenyl)-1,2-dioxaspiro[5.5]undec-4-ene
CID 10520987
1-Methoxymethyl-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 10405126
US8815951, Epoxide Hydrolase Inhibitor 4
CID 86766822
(2R)-3-(Benzyloxy)-2-hydroxypropyl 4-methylbenzene-1-sulfonate
CID 13644871
Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (Z)-
CID 3053243
Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (E)-
CID 3053244
2-(4-Methanesulfonylphenyl)oxirane
CID 16792009
2-Fluorobenzyl 3-[(4-methylphenyl)sulfonyl]propanoate
CID 2221601
1-methyl-4-[(Z)-3-phenoxyprop-2-enyl]sulfonylbenzene
CID 15156165

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2R)-2-phenylmethoxypentyl]sulfonylbenzene?
The IUPAC name of 1-methyl-4-[(2R)-2-phenylmethoxypentyl]sulfonylbenzene (CID 11450404) is 1-methyl-4-[(2R)-2-phenylmethoxypentyl]sulfonylbenzene.
What is the SMILES notation for 1-methyl-4-[(2R)-2-phenylmethoxypentyl]sulfonylbenzene?
The canonical SMILES for 1-methyl-4-[(2R)-2-phenylmethoxypentyl]sulfonylbenzene is CCC[C@H](CS(=O)(=O)c1ccc(C)cc1)OCc1ccccc1.
What is the InChIKey of 1-methyl-4-[(2R)-2-phenylmethoxypentyl]sulfonylbenzene?
The InChIKey is UHFCFTHVXKIRQK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24O3S/c1-3-7-18(22-14-17-8-5-4-6-9-17)15-23(20,21)19-12-10-16(2)11-13-19/h4-6,8-13,18H,3,7,14-15H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-methyl-4-[(2R)-2-phenylmethoxypentyl]sulfonylbenzene?
1-methyl-4-[(2R)-2-phenylmethoxypentyl]sulfonylbenzene has a molecular weight of 332.47 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2R)-2-phenylmethoxypentyl]sulfonylbenzene is sourced from PubChem (CID 11450404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).