N-(4-hydroxy-2-methylphenyl)thiophene-2-sulfonamide

C11H11NO3S2 — CID 4826382

IUPACN-(4-hydroxy-2-methylphenyl)thiophene-2-sulfonamide
SMILESCc1cc(O)ccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C11H11NO3S2/c1-8-7-9(13)4-5-10(8)12-17(14,15)11-3-2-6-16-11/h2-7,12-13H,1H3
InChIKeyOVFJSJMEVZWKRQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.56
Rot. Bonds3

About N-(4-hydroxy-2-methylphenyl)thiophene-2-sulfonamide

N-(4-hydroxy-2-methylphenyl)thiophene-2-sulfonamide (PubChem CID 4826382) has the molecular formula C11H11NO3S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylphenyl)thiophene-2-sulfonamide
PubChem CID4826382
Molecular FormulaC11H11NO3S2
Molecular Weight269.35 g/mol
Exact Mass269.02
IUPAC NameN-(4-hydroxy-2-methylphenyl)thiophene-2-sulfonamide
SMILESCc1cc(O)ccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C11H11NO3S2/c1-8-7-9(13)4-5-10(8)12-17(14,15)11-3-2-6-16-11/h2-7,12-13H,1H3
InChIKeyOVFJSJMEVZWKRQ-UHFFFAOYSA-N
XLogP2.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-hydroxy-2-methylphenyl)thiophene-2-sulfonamide (CID 4826382) is N-(4-hydroxy-2-methylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-2-methylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-hydroxy-2-methylphenyl)thiophene-2-sulfonamide is Cc1cc(O)ccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-(4-hydroxy-2-methylphenyl)thiophene-2-sulfonamide?
The InChIKey is OVFJSJMEVZWKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S2/c1-8-7-9(13)4-5-10(8)12-17(14,15)11-3-2-6-16-11/h2-7,12-13H,1H3.
What are the key properties of N-(4-hydroxy-2-methylphenyl)thiophene-2-sulfonamide?
N-(4-hydroxy-2-methylphenyl)thiophene-2-sulfonamide has a molecular weight of 269.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 4826382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).