N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide

C12H12N2O4S2 — CID 136873667

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide
SMILESCOc1cc(/C=N/NS(=O)(=O)c2cccs2)ccc1O
InChIInChI=1S/C12H12N2O4S2/c1-18-11-7-9(4-5-10(11)15)8-13-14-20(16,17)12-3-2-6-19-12/h2-8,14-15H,1H3/b13-8+
InChIKeyYSVNMMRBLKZJEA-MDWZMJQESA-N
MW312.37 g/mol
LogP1.77
Rot. Bonds5

About N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide (PubChem CID 136873667) has the molecular formula C12H12N2O4S2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide
PubChem CID136873667
Molecular FormulaC12H12N2O4S2
Molecular Weight312.37 g/mol
Exact Mass312.02
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide
SMILESCOc1cc(/C=N/NS(=O)(=O)c2cccs2)ccc1O
InChIInChI=1S/C12H12N2O4S2/c1-18-11-7-9(4-5-10(11)15)8-13-14-20(16,17)12-3-2-6-19-12/h2-8,14-15H,1H3/b13-8+
InChIKeyYSVNMMRBLKZJEA-MDWZMJQESA-N
XLogP1.77
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 136873643
N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 136873641
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]thiophene-2-sulfonamide
CID 110518228
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135795952
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 768844
N-[(E)-(2-chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 110518258
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 135905133
2-[2-ethoxy-4-[(E)-(thiophen-2-ylsulfonylhydrazinylidene)methyl]phenoxy]-N,N-diethylacetamide
CID 110518118
[4-[(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate
CID 2692698
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thiophene-2-sulfonamide
CID 110518160
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135491260

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide (CID 136873667) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide is COc1cc(/C=N/NS(=O)(=O)c2cccs2)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide?
The InChIKey is YSVNMMRBLKZJEA-MDWZMJQESA-N. The full InChI is InChI=1S/C12H12N2O4S2/c1-18-11-7-9(4-5-10(11)15)8-13-14-20(16,17)12-3-2-6-19-12/h2-8,14-15H,1H3/b13-8+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide has a molecular weight of 312.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide is sourced from PubChem (CID 136873667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).