2-tert-butylsulfonylhexylbenzene

C16H26O2S — CID 10924028

IUPAC2-tert-butylsulfonylhexylbenzene
SMILESCCCCC(Cc1ccccc1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C16H26O2S/c1-5-6-12-15(19(17,18)16(2,3)4)13-14-10-8-7-9-11-14/h7-11,15H,5-6,12-13H2,1-4H3
InChIKeyGVPVGGUNVZZYER-UHFFFAOYSA-N
MW282.45 g/mol
LogP4.00
Rot. Bonds6

About 2-tert-butylsulfonylhexylbenzene

2-tert-butylsulfonylhexylbenzene (PubChem CID 10924028) has the molecular formula C16H26O2S and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-tert-butylsulfonylhexylbenzene.

Molecular Properties

Compound Name2-tert-butylsulfonylhexylbenzene
PubChem CID10924028
Molecular FormulaC16H26O2S
Molecular Weight282.45 g/mol
Exact Mass282.17
IUPAC Name2-tert-butylsulfonylhexylbenzene
SMILESCCCCC(Cc1ccccc1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C16H26O2S/c1-5-6-12-15(19(17,18)16(2,3)4)13-14-10-8-7-9-11-14/h7-11,15H,5-6,12-13H2,1-4H3
InChIKeyGVPVGGUNVZZYER-UHFFFAOYSA-N
XLogP4.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-tert-butylsulfonyl-3-phenylpropan-1-ol
CID 102426580
[(1S)-1-tert-butylsulfonylpentyl]benzene
CID 91798440
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CID 173427146
[2-(1,3-diphenylpropan-2-ylsulfonyl)-3-phenylpropyl]benzene
CID 175219227
hexan-2-ylsulfonylmethylbenzene
CID 155261825
2-benzyldodecanoic acid
CID 14250629
1,3-diphenylpropane-2-sulfonamide
CID 62084735
benzoic acid;heptane-3-sulfonamide
CID 175186637
2-benzyltetradecylbenzene
CID 22920205
2-(2-chloropropan-2-yl)tridecylbenzene
CID 175479853
3-benzyl-2-methyltridecan-2-amine
CID 11153328
2-octylsulfonylpropylbenzene
CID 154336475

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonylhexylbenzene?
The IUPAC name of 2-tert-butylsulfonylhexylbenzene (CID 10924028) is 2-tert-butylsulfonylhexylbenzene.
What is the SMILES notation for 2-tert-butylsulfonylhexylbenzene?
The canonical SMILES for 2-tert-butylsulfonylhexylbenzene is CCCCC(Cc1ccccc1)S(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-tert-butylsulfonylhexylbenzene?
The InChIKey is GVPVGGUNVZZYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2S/c1-5-6-12-15(19(17,18)16(2,3)4)13-14-10-8-7-9-11-14/h7-11,15H,5-6,12-13H2,1-4H3.
What are the key properties of 2-tert-butylsulfonylhexylbenzene?
2-tert-butylsulfonylhexylbenzene has a molecular weight of 282.45 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonylhexylbenzene is sourced from PubChem (CID 10924028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).