2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide

C14H15NO3S2 — CID 81241971

IUPAC2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCc2sccc21)c1ccccc1O
InChIInChI=1S/C14H15NO3S2/c16-12-5-1-2-7-14(12)20(17,18)15-11-4-3-6-13-10(11)8-9-19-13/h1-2,5,7-9,11,15-16H,3-4,6H2
InChIKeyDPTDAUSYXPIHRH-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.81
Rot. Bonds3

About 2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide

2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide (PubChem CID 81241971) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
PubChem CID81241971
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC Name2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCc2sccc21)c1ccccc1O
InChIInChI=1S/C14H15NO3S2/c16-12-5-1-2-7-14(12)20(17,18)15-11-4-3-6-13-10(11)8-9-19-13/h1-2,5,7-9,11,15-16H,3-4,6H2
InChIKeyDPTDAUSYXPIHRH-UHFFFAOYSA-N
XLogP2.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide?
The IUPAC name of 2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide (CID 81241971) is 2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide?
The canonical SMILES for 2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide is O=S(=O)(NC1CCCc2sccc21)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide?
The InChIKey is DPTDAUSYXPIHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S2/c16-12-5-1-2-7-14(12)20(17,18)15-11-4-3-6-13-10(11)8-9-19-13/h1-2,5,7-9,11,15-16H,3-4,6H2.
What are the key properties of 2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide?
2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide has a molecular weight of 309.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide is sourced from PubChem (CID 81241971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).