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

C12H11ClN2O4S2 — CID 110518258

IUPACN-[(E)-(2-chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide
SMILESCOc1ccc(/C=N/NS(=O)(=O)c2cccs2)c(Cl)c1O
InChIInChI=1S/C12H11ClN2O4S2/c1-19-9-5-4-8(11(13)12(9)16)7-14-15-21(17,18)10-3-2-6-20-10/h2-7,15-16H,1H3/b14-7+
InChIKeyMTTLLRVUCGNDBA-VGOFMYFVSA-N
MW346.82 g/mol
LogP2.43
Rot. Bonds5

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

N-[(E)-(2-chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide (PubChem CID 110518258) has the molecular formula C12H11ClN2O4S2 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-[(E)-(2-chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(E)-(2-chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide
PubChem CID110518258
Molecular FormulaC12H11ClN2O4S2
Molecular Weight346.82 g/mol
Exact Mass345.98
IUPAC NameN-[(E)-(2-chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide
SMILESCOc1ccc(/C=N/NS(=O)(=O)c2cccs2)c(Cl)c1O
InChIInChI=1S/C12H11ClN2O4S2/c1-19-9-5-4-8(11(13)12(9)16)7-14-15-21(17,18)10-3-2-6-20-10/h2-7,15-16H,1H3/b14-7+
InChIKeyMTTLLRVUCGNDBA-VGOFMYFVSA-N
XLogP2.43
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 136873667
2-chloro-6-methoxy-3-[(methylhydrazinylidene)methyl]phenol
CID 110839630
N-[(E)-(2,6-dichlorophenyl)methylideneamino]thiophene-2-sulfonamide
CID 12704246
N-[(E)-(2-propoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 110518275
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]thiophene-2-sulfonamide
CID 110518228
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thiophene-2-sulfonamide
CID 110518160
N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517529
5-chloro-4-[(2Z)-2-[(2-chloro-3-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509828
3,4-dimethoxy-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 110517561
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 135647812

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide?
The IUPAC name of N-[(E)-(2-chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide (CID 110518258) is N-[(E)-(2-chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(E)-(2-chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide?
The canonical SMILES for N-[(E)-(2-chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide is COc1ccc(/C=N/NS(=O)(=O)c2cccs2)c(Cl)c1O.
What is the InChIKey of N-[(E)-(2-chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide?
The InChIKey is MTTLLRVUCGNDBA-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H11ClN2O4S2/c1-19-9-5-4-8(11(13)12(9)16)7-14-15-21(17,18)10-3-2-6-20-10/h2-7,15-16H,1H3/b14-7+.
What are the key properties of N-[(E)-(2-chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide?
N-[(E)-(2-chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide has a molecular weight of 346.82 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide is sourced from PubChem (CID 110518258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).