N-[(2-hydroxyphenyl)methylidene]thiophene-2-sulfonamide

C11H9NO3S2 — CID 687527

IUPACN-[(2-hydroxyphenyl)methylidene]thiophene-2-sulfonamide
SMILESO=S(=O)(N=Cc1ccccc1O)c1cccs1
InChIInChI=1S/C11H9NO3S2/c13-10-5-2-1-4-9(10)8-12-17(14,15)11-6-3-7-16-11/h1-8,13H
InChIKeySZFYKLJMOLVNCV-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.26
Rot. Bonds3

About N-[(2-hydroxyphenyl)methylidene]thiophene-2-sulfonamide

N-[(2-hydroxyphenyl)methylidene]thiophene-2-sulfonamide (PubChem CID 687527) has the molecular formula C11H9NO3S2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methylidene]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methylidene]thiophene-2-sulfonamide
PubChem CID687527
Molecular FormulaC11H9NO3S2
Molecular Weight267.33 g/mol
Exact Mass267.00
IUPAC NameN-[(2-hydroxyphenyl)methylidene]thiophene-2-sulfonamide
SMILESO=S(=O)(N=Cc1ccccc1O)c1cccs1
InChIInChI=1S/C11H9NO3S2/c13-10-5-2-1-4-9(10)8-12-17(14,15)11-6-3-7-16-11/h1-8,13H
InChIKeySZFYKLJMOLVNCV-UHFFFAOYSA-N
XLogP2.26
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methylidene]thiophene-2-sulfonamide?
The IUPAC name of N-[(2-hydroxyphenyl)methylidene]thiophene-2-sulfonamide (CID 687527) is N-[(2-hydroxyphenyl)methylidene]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methylidene]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methylidene]thiophene-2-sulfonamide is O=S(=O)(N=Cc1ccccc1O)c1cccs1.
What is the InChIKey of N-[(2-hydroxyphenyl)methylidene]thiophene-2-sulfonamide?
The InChIKey is SZFYKLJMOLVNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3S2/c13-10-5-2-1-4-9(10)8-12-17(14,15)11-6-3-7-16-11/h1-8,13H.
What are the key properties of N-[(2-hydroxyphenyl)methylidene]thiophene-2-sulfonamide?
N-[(2-hydroxyphenyl)methylidene]thiophene-2-sulfonamide has a molecular weight of 267.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methylidene]thiophene-2-sulfonamide is sourced from PubChem (CID 687527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).