benzenesulfonylbenzene;ethane;methanol

C17H26O3S — CID 123145310

IUPACbenzenesulfonylbenzene;ethane;methanol
SMILESCC.CC.CO.O=S(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10O2S.2C2H6.CH4O/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;3*1-2/h1-10H;2*1-2H3;2H,1H3
InChIKeyVQLWVNLQNOCTFZ-UHFFFAOYSA-N
MW310.46 g/mol
LogP4.18
Rot. Bonds2

About benzenesulfonylbenzene;ethane;methanol

benzenesulfonylbenzene;ethane;methanol (PubChem CID 123145310) has the molecular formula C17H26O3S and a molecular weight of 310.46 g/mol. Its IUPAC name is benzenesulfonylbenzene;ethane;methanol.

Molecular Properties

Compound Namebenzenesulfonylbenzene;ethane;methanol
PubChem CID123145310
Molecular FormulaC17H26O3S
Molecular Weight310.46 g/mol
Exact Mass310.16
IUPAC Namebenzenesulfonylbenzene;ethane;methanol
SMILESCC.CC.CO.O=S(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10O2S.2C2H6.CH4O/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;3*1-2/h1-10H;2*1-2H3;2H,1H3
InChIKeyVQLWVNLQNOCTFZ-UHFFFAOYSA-N
XLogP4.18
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzene;benzenesulfonylbenzene;ethane;methoxymethane
CID 158977372
benzenesulfonylbenzene;oxalic acid
CID 67897674
benzene;benzenesulfonylbenzene;ethane;methoxymethane;methylsulfonylmethane
CID 157418553
benzenesulfonylbenzene;formonitrile
CID 174749173
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
1-(benzenesulfonyl)-4-methylsulfonylbenzene
CID 13498252
benzenesulfonamide;methanol
CID 23223292
1,2-bis(benzenesulfonyl)benzene
CID 19980733
4-(benzenesulfonyl)benzenesulfonyl bromide
CID 22438381
1-(benzenesulfonyl)-4-ethylbenzene
CID 578693
1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437
[4-(benzenesulfonyl)phenyl]-phenylmethanone
CID 1040286

Frequently Asked Questions

What is the IUPAC name of benzenesulfonylbenzene;ethane;methanol?
The IUPAC name of benzenesulfonylbenzene;ethane;methanol (CID 123145310) is benzenesulfonylbenzene;ethane;methanol.
What is the SMILES notation for benzenesulfonylbenzene;ethane;methanol?
The canonical SMILES for benzenesulfonylbenzene;ethane;methanol is CC.CC.CO.O=S(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzenesulfonylbenzene;ethane;methanol?
The InChIKey is VQLWVNLQNOCTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S.2C2H6.CH4O/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;3*1-2/h1-10H;2*1-2H3;2H,1H3.
What are the key properties of benzenesulfonylbenzene;ethane;methanol?
benzenesulfonylbenzene;ethane;methanol has a molecular weight of 310.46 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonylbenzene;ethane;methanol is sourced from PubChem (CID 123145310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).