3-(benzenesulfonylmethyl)thiophene

C11H10O2S2 — CID 14632150

IUPAC3-(benzenesulfonylmethyl)thiophene
SMILESO=S(=O)(Cc1ccsc1)c1ccccc1
InChIInChI=1S/C11H10O2S2/c12-15(13,9-10-6-7-14-8-10)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyHSPWTJKYRNOHBB-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.72
Rot. Bonds3

About 3-(benzenesulfonylmethyl)thiophene

3-(benzenesulfonylmethyl)thiophene (PubChem CID 14632150) has the molecular formula C11H10O2S2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)thiophene.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)thiophene
PubChem CID14632150
Molecular FormulaC11H10O2S2
Molecular Weight238.33 g/mol
Exact Mass238.01
IUPAC Name3-(benzenesulfonylmethyl)thiophene
SMILESO=S(=O)(Cc1ccsc1)c1ccccc1
InChIInChI=1S/C11H10O2S2/c12-15(13,9-10-6-7-14-8-10)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyHSPWTJKYRNOHBB-UHFFFAOYSA-N
XLogP2.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(thiophen-3-ylmethylsulfonyl)aniline
CID 61368603
2-bromo-5-(thiophen-3-ylmethylsulfonyl)benzoic acid
CID 43646395
2-(thiophen-3-ylmethylsulfonyl)pyridin-3-amine
CID 61369370
3,5-difluoro-4-(thiophen-3-ylmethylsulfonyl)aniline
CID 61367469
3-[4-(benzenesulfonylmethyl)phenyl]propanal
CID 159741196
4-(benzenesulfonylmethyl)pyridazine
CID 15356776
4-(benzenesulfonylmethyl)-1,2-dichlorobenzene
CID 10968615
4-chloro-3-(thiophen-3-ylmethylsulfonyl)aniline
CID 81202226
3-(3-phenylprop-2-ynylsulfonyl)thiophene
CID 122402742
5-chloro-2-methoxy-3-(thiophen-3-ylmethylsulfonyl)benzoic acid
CID 43646414
N-(2-hydroxyethyl)-1-phenyl-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 75421892
1-[3-(benzenesulfonyl)propyl]-3-ethyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111939100

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)thiophene?
The IUPAC name of 3-(benzenesulfonylmethyl)thiophene (CID 14632150) is 3-(benzenesulfonylmethyl)thiophene.
What is the SMILES notation for 3-(benzenesulfonylmethyl)thiophene?
The canonical SMILES for 3-(benzenesulfonylmethyl)thiophene is O=S(=O)(Cc1ccsc1)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonylmethyl)thiophene?
The InChIKey is HSPWTJKYRNOHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S2/c12-15(13,9-10-6-7-14-8-10)11-4-2-1-3-5-11/h1-8H,9H2.
What are the key properties of 3-(benzenesulfonylmethyl)thiophene?
3-(benzenesulfonylmethyl)thiophene has a molecular weight of 238.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)thiophene is sourced from PubChem (CID 14632150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).