2-(benzenesulfonylmethyl)-3-methyl-5-thiophen-2-ylthiophene

C16H14O2S3 — CID 101485141

IUPAC2-(benzenesulfonylmethyl)-3-methyl-5-thiophen-2-ylthiophene
SMILESCc1cc(-c2cccs2)sc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H14O2S3/c1-12-10-15(14-8-5-9-19-14)20-16(12)11-21(17,18)13-6-3-2-4-7-13/h2-10H,11H2,1H3
InChIKeyOOPDMFLSYGDUFW-UHFFFAOYSA-N
MW334.49 g/mol
LogP4.76
Rot. Bonds4

About 2-(benzenesulfonylmethyl)-3-methyl-5-thiophen-2-ylthiophene

2-(benzenesulfonylmethyl)-3-methyl-5-thiophen-2-ylthiophene (PubChem CID 101485141) has the molecular formula C16H14O2S3 and a molecular weight of 334.49 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-3-methyl-5-thiophen-2-ylthiophene.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-3-methyl-5-thiophen-2-ylthiophene
PubChem CID101485141
Molecular FormulaC16H14O2S3
Molecular Weight334.49 g/mol
Exact Mass334.02
IUPAC Name2-(benzenesulfonylmethyl)-3-methyl-5-thiophen-2-ylthiophene
SMILESCc1cc(-c2cccs2)sc1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H14O2S3/c1-12-10-15(14-8-5-9-19-14)20-16(12)11-21(17,18)13-6-3-2-4-7-13/h2-10H,11H2,1H3
InChIKeyOOPDMFLSYGDUFW-UHFFFAOYSA-N
XLogP4.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonylmethyl)-3-methyl-5-(4-nitrophenyl)thiophene
CID 101485140
N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 2811533
2-[2-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]acetic acid
CID 90139364
1-(benzenesulfonyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol
CID 58568135
2,3-bis(2-methyl-5-thiophen-2-ylthiophen-3-yl)naphthalene-1,4-dione
CID 101124466
4-(benzenesulfonylmethyl)-5-methylthiophene-2-carboxylic acid
CID 80730204
9-(benzenesulfonyl)-2-thiophen-2-ylthieno[2,3-b]carbazole
CID 102475949
1-[2-(benzenesulfonyl)ethyl]-2-methyl-3-[(3-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111893796
2-[2-[5-[3-(carboxymethyl)-5-thiophen-2-ylthiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid
CID 45254028
2-(3-methylsulfonylphenyl)thiophene
CID 141164326
3-methyl-2-(methylsulfonylmethyl)thiophene
CID 86036540
3-(benzenesulfonylmethyl)thiophene
CID 14632150

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)-3-methyl-5-thiophen-2-ylthiophene?
The IUPAC name of 2-(benzenesulfonylmethyl)-3-methyl-5-thiophen-2-ylthiophene (CID 101485141) is 2-(benzenesulfonylmethyl)-3-methyl-5-thiophen-2-ylthiophene.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-3-methyl-5-thiophen-2-ylthiophene?
The canonical SMILES for 2-(benzenesulfonylmethyl)-3-methyl-5-thiophen-2-ylthiophene is Cc1cc(-c2cccs2)sc1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonylmethyl)-3-methyl-5-thiophen-2-ylthiophene?
The InChIKey is OOPDMFLSYGDUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S3/c1-12-10-15(14-8-5-9-19-14)20-16(12)11-21(17,18)13-6-3-2-4-7-13/h2-10H,11H2,1H3.
What are the key properties of 2-(benzenesulfonylmethyl)-3-methyl-5-thiophen-2-ylthiophene?
2-(benzenesulfonylmethyl)-3-methyl-5-thiophen-2-ylthiophene has a molecular weight of 334.49 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-3-methyl-5-thiophen-2-ylthiophene is sourced from PubChem (CID 101485141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).