N-hydroxy-5-methyl-1-benzothiophene-2-sulfonamide

C9H9NO3S2 — CID 59030871

IUPACN-hydroxy-5-methyl-1-benzothiophene-2-sulfonamide
SMILESCc1ccc2sc(S(=O)(=O)NO)cc2c1
InChIInChI=1S/C9H9NO3S2/c1-6-2-3-8-7(4-6)5-9(14-8)15(12,13)10-11/h2-5,10-11H,1H3
InChIKeyBSUFQFSTQVOKBU-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.88
Rot. Bonds2

About N-hydroxy-5-methyl-1-benzothiophene-2-sulfonamide

N-hydroxy-5-methyl-1-benzothiophene-2-sulfonamide (PubChem CID 59030871) has the molecular formula C9H9NO3S2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-hydroxy-5-methyl-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-hydroxy-5-methyl-1-benzothiophene-2-sulfonamide
PubChem CID59030871
Molecular FormulaC9H9NO3S2
Molecular Weight243.31 g/mol
Exact Mass243.00
IUPAC NameN-hydroxy-5-methyl-1-benzothiophene-2-sulfonamide
SMILESCc1ccc2sc(S(=O)(=O)NO)cc2c1
InChIInChI=1S/C9H9NO3S2/c1-6-2-3-8-7(4-6)5-9(14-8)15(12,13)10-11/h2-5,10-11H,1H3
InChIKeyBSUFQFSTQVOKBU-UHFFFAOYSA-N
XLogP1.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-methyl-1-benzothiophene-2-sulfonamide?
The IUPAC name of N-hydroxy-5-methyl-1-benzothiophene-2-sulfonamide (CID 59030871) is N-hydroxy-5-methyl-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for N-hydroxy-5-methyl-1-benzothiophene-2-sulfonamide?
The canonical SMILES for N-hydroxy-5-methyl-1-benzothiophene-2-sulfonamide is Cc1ccc2sc(S(=O)(=O)NO)cc2c1.
What is the InChIKey of N-hydroxy-5-methyl-1-benzothiophene-2-sulfonamide?
The InChIKey is BSUFQFSTQVOKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3S2/c1-6-2-3-8-7(4-6)5-9(14-8)15(12,13)10-11/h2-5,10-11H,1H3.
What are the key properties of N-hydroxy-5-methyl-1-benzothiophene-2-sulfonamide?
N-hydroxy-5-methyl-1-benzothiophene-2-sulfonamide has a molecular weight of 243.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-methyl-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 59030871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).