N-[(E)-(2,6-dichlorophenyl)methylideneamino]thiophene-2-sulfonamide

C11H8Cl2N2O2S2 — CID 12704246

IUPACN-[(E)-(2,6-dichlorophenyl)methylideneamino]thiophene-2-sulfonamide
SMILESO=S(=O)(N/N=C/c1c(Cl)cccc1Cl)c1cccs1
InChIInChI=1S/C11H8Cl2N2O2S2/c12-9-3-1-4-10(13)8(9)7-14-15-19(16,17)11-5-2-6-18-11/h1-7,15H/b14-7+
InChIKeyFBAOEUMZHKUPIG-VGOFMYFVSA-N
MW335.24 g/mol
LogP3.37
Rot. Bonds4

About N-[(E)-(2,6-dichlorophenyl)methylideneamino]thiophene-2-sulfonamide

N-[(E)-(2,6-dichlorophenyl)methylideneamino]thiophene-2-sulfonamide (PubChem CID 12704246) has the molecular formula C11H8Cl2N2O2S2 and a molecular weight of 335.24 g/mol. Its IUPAC name is N-[(E)-(2,6-dichlorophenyl)methylideneamino]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(E)-(2,6-dichlorophenyl)methylideneamino]thiophene-2-sulfonamide
PubChem CID12704246
Molecular FormulaC11H8Cl2N2O2S2
Molecular Weight335.24 g/mol
Exact Mass333.94
IUPAC NameN-[(E)-(2,6-dichlorophenyl)methylideneamino]thiophene-2-sulfonamide
SMILESO=S(=O)(N/N=C/c1c(Cl)cccc1Cl)c1cccs1
InChIInChI=1S/C11H8Cl2N2O2S2/c12-9-3-1-4-10(13)8(9)7-14-15-19(16,17)11-5-2-6-18-11/h1-7,15H/b14-7+
InChIKeyFBAOEUMZHKUPIG-VGOFMYFVSA-N
XLogP3.37
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-furan-2-ylmethylideneamino]thiophene-2-sulfonamide
CID 12704250
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thiophene-2-sulfonamide
CID 110518160
N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 136873641
N-[(E)-(2-chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 110518258
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 136873643
N-[(E)-(2-propoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 110518275
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-sulfonamide
CID 136873667
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5395244
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzenesulfonamide
CID 6897306
4-chloro-N-(thiophen-2-ylmethylideneamino)benzenesulfonamide
CID 874023
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]thiophene-2-sulfonamide
CID 110518228
2-chloro-N-thiophen-2-ylsulfonylbenzamide
CID 975839

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,6-dichlorophenyl)methylideneamino]thiophene-2-sulfonamide?
The IUPAC name of N-[(E)-(2,6-dichlorophenyl)methylideneamino]thiophene-2-sulfonamide (CID 12704246) is N-[(E)-(2,6-dichlorophenyl)methylideneamino]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(E)-(2,6-dichlorophenyl)methylideneamino]thiophene-2-sulfonamide?
The canonical SMILES for N-[(E)-(2,6-dichlorophenyl)methylideneamino]thiophene-2-sulfonamide is O=S(=O)(N/N=C/c1c(Cl)cccc1Cl)c1cccs1.
What is the InChIKey of N-[(E)-(2,6-dichlorophenyl)methylideneamino]thiophene-2-sulfonamide?
The InChIKey is FBAOEUMZHKUPIG-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2S2/c12-9-3-1-4-10(13)8(9)7-14-15-19(16,17)11-5-2-6-18-11/h1-7,15H/b14-7+.
What are the key properties of N-[(E)-(2,6-dichlorophenyl)methylideneamino]thiophene-2-sulfonamide?
N-[(E)-(2,6-dichlorophenyl)methylideneamino]thiophene-2-sulfonamide has a molecular weight of 335.24 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,6-dichlorophenyl)methylideneamino]thiophene-2-sulfonamide is sourced from PubChem (CID 12704246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).