3,4-dichloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide

C12H10Cl2N2O3S — CID 110516073

IUPAC3,4-dichloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C12H10Cl2N2O3S/c1-8-2-3-9(19-8)7-15-16-20(17,18)10-4-5-11(13)12(14)6-10/h2-7,16H,1H3/b15-7+
InChIKeyLCARHRYWIPYUBB-VIZOYTHASA-N
MW333.20 g/mol
LogP3.21
Rot. Bonds4

About 3,4-dichloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide

3,4-dichloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide (PubChem CID 110516073) has the molecular formula C12H10Cl2N2O3S and a molecular weight of 333.20 g/mol. Its IUPAC name is 3,4-dichloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide
PubChem CID110516073
Molecular FormulaC12H10Cl2N2O3S
Molecular Weight333.20 g/mol
Exact Mass331.98
IUPAC Name3,4-dichloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C12H10Cl2N2O3S/c1-8-2-3-9(19-8)7-15-16-20(17,18)10-4-5-11(13)12(14)6-10/h2-7,16H,1H3/b15-7+
InChIKeyLCARHRYWIPYUBB-VIZOYTHASA-N
XLogP3.21
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 53.21
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

3,4-dimethoxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide
CID 110517456
N-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide
CID 842355
3,4-dichloro-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516135
N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 3426936
5-tert-butyl-2-methyl-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide
CID 110515860
3,4-dichloro-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516191
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]naphthalene-2-sulfonamide
CID 6287373
4-bromo-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]benzenesulfonamide
CID 5434258
4-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzenesulfonamide
CID 6894037
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]benzenesulfonamide
CID 5431725
N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 3816843
3,4-dichloro-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516081

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide (CID 110516073) is 3,4-dichloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide is Cc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 3,4-dichloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide?
The InChIKey is LCARHRYWIPYUBB-VIZOYTHASA-N. The full InChI is InChI=1S/C12H10Cl2N2O3S/c1-8-2-3-9(19-8)7-15-16-20(17,18)10-4-5-11(13)12(14)6-10/h2-7,16H,1H3/b15-7+.
What are the key properties of 3,4-dichloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide?
3,4-dichloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide has a molecular weight of 333.20 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 110516073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).