(2-butylsulfonyl-1-phenylethyl)benzene

C18H22O2S — CID 58218103

IUPAC(2-butylsulfonyl-1-phenylethyl)benzene
SMILESCCCCS(=O)(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2S/c1-2-3-14-21(19,20)15-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,2-3,14-15H2,1H3
InChIKeyCDFDEYYUVIIJCZ-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.03
Rot. Bonds7

About (2-butylsulfonyl-1-phenylethyl)benzene

(2-butylsulfonyl-1-phenylethyl)benzene (PubChem CID 58218103) has the molecular formula C18H22O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is (2-butylsulfonyl-1-phenylethyl)benzene.

Molecular Properties

Compound Name(2-butylsulfonyl-1-phenylethyl)benzene
PubChem CID58218103
Molecular FormulaC18H22O2S
Molecular Weight302.44 g/mol
Exact Mass302.13
IUPAC Name(2-butylsulfonyl-1-phenylethyl)benzene
SMILESCCCCS(=O)(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2S/c1-2-3-14-21(19,20)15-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,2-3,14-15H2,1H3
InChIKeyCDFDEYYUVIIJCZ-UHFFFAOYSA-N
XLogP4.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-diphenylethylsulfonyl)propan-1-ol
CID 58218199
(2-methylsulfonyl-1-phenylethyl)benzene
CID 23546848
2-(butylsulfonylamino)-2-phenylacetic acid
CID 16775375
2-butylsulfonyl-N-ethyl-1-phenylpropan-1-amine
CID 64676326
2-anilino-3-octylsulfonylpropan-1-ol
CID 13430478
5-ethylsulfonyl-1-phenylpentan-1-ol
CID 65095328
2,2-diphenylethanesulfonamide
CID 68954742
6-phenyldodecane-1-sulfonate
CID 100958077
N-(2-phenyl-2-pyridin-2-ylethyl)butane-1-sulfonamide
CID 110362891
N-(3-pentylsulfonylpropyl)aniline
CID 107757198
sulfuric acid;tridecan-2-ylbenzene
CID 70428622
benzhydryl hexacosanoate
CID 23119643

Frequently Asked Questions

What is the IUPAC name of (2-butylsulfonyl-1-phenylethyl)benzene?
The IUPAC name of (2-butylsulfonyl-1-phenylethyl)benzene (CID 58218103) is (2-butylsulfonyl-1-phenylethyl)benzene.
What is the SMILES notation for (2-butylsulfonyl-1-phenylethyl)benzene?
The canonical SMILES for (2-butylsulfonyl-1-phenylethyl)benzene is CCCCS(=O)(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-butylsulfonyl-1-phenylethyl)benzene?
The InChIKey is CDFDEYYUVIIJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2S/c1-2-3-14-21(19,20)15-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,2-3,14-15H2,1H3.
What are the key properties of (2-butylsulfonyl-1-phenylethyl)benzene?
(2-butylsulfonyl-1-phenylethyl)benzene has a molecular weight of 302.44 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylsulfonyl-1-phenylethyl)benzene is sourced from PubChem (CID 58218103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).