2-butylsulfonyl-6-phenylthieno[2,3-b]pyridine

C17H17NO2S2 — CID 118059001

IUPAC2-butylsulfonyl-6-phenylthieno[2,3-b]pyridine
SMILESCCCCS(=O)(=O)c1cc2ccc(-c3ccccc3)nc2s1
InChIInChI=1S/C17H17NO2S2/c1-2-3-11-22(19,20)16-12-14-9-10-15(18-17(14)21-16)13-7-5-4-6-8-13/h4-10,12H,2-3,11H2,1H3
InChIKeySUORALOFSDAHMC-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.54
Rot. Bonds5

About 2-butylsulfonyl-6-phenylthieno[2,3-b]pyridine

2-butylsulfonyl-6-phenylthieno[2,3-b]pyridine (PubChem CID 118059001) has the molecular formula C17H17NO2S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-butylsulfonyl-6-phenylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-butylsulfonyl-6-phenylthieno[2,3-b]pyridine
PubChem CID118059001
Molecular FormulaC17H17NO2S2
Molecular Weight331.46 g/mol
Exact Mass331.07
IUPAC Name2-butylsulfonyl-6-phenylthieno[2,3-b]pyridine
SMILESCCCCS(=O)(=O)c1cc2ccc(-c3ccccc3)nc2s1
InChIInChI=1S/C17H17NO2S2/c1-2-3-11-22(19,20)16-12-14-9-10-15(18-17(14)21-16)13-7-5-4-6-8-13/h4-10,12H,2-3,11H2,1H3
InChIKeySUORALOFSDAHMC-UHFFFAOYSA-N
XLogP4.54
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 3337839
CID 3337839
CID 72188205
CID 72188205
CID 3337991
CID 3337991
CID 629125
CID 629125
CID 773538
CID 773538
CID 1717706
CID 1717706
CID 4001738
CID 4001738
CID 654955
CID 654955
CID 1316236
CID 1316236
CID 3337838
CID 3337838
CID 24747710
CID 24747710
CID 59159454
CID 59159454

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfonyl-6-phenylthieno[2,3-b]pyridine?
The IUPAC name of 2-butylsulfonyl-6-phenylthieno[2,3-b]pyridine (CID 118059001) is 2-butylsulfonyl-6-phenylthieno[2,3-b]pyridine.
What is the SMILES notation for 2-butylsulfonyl-6-phenylthieno[2,3-b]pyridine?
The canonical SMILES for 2-butylsulfonyl-6-phenylthieno[2,3-b]pyridine is CCCCS(=O)(=O)c1cc2ccc(-c3ccccc3)nc2s1.
What is the InChIKey of 2-butylsulfonyl-6-phenylthieno[2,3-b]pyridine?
The InChIKey is SUORALOFSDAHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S2/c1-2-3-11-22(19,20)16-12-14-9-10-15(18-17(14)21-16)13-7-5-4-6-8-13/h4-10,12H,2-3,11H2,1H3.
What are the key properties of 2-butylsulfonyl-6-phenylthieno[2,3-b]pyridine?
2-butylsulfonyl-6-phenylthieno[2,3-b]pyridine has a molecular weight of 331.46 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfonyl-6-phenylthieno[2,3-b]pyridine is sourced from PubChem (CID 118059001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).