(NZ)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]benzenesulfonamide

C15H14BrNO4S — CID 110518789

IUPAC(NZ)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]benzenesulfonamide
SMILESCOc1cc(/C=N\S(=O)(=O)c2ccccc2)cc(Br)c1OC
InChIInChI=1S/C15H14BrNO4S/c1-20-14-9-11(8-13(16)15(14)21-2)10-17-22(18,19)12-6-4-3-5-7-12/h3-10H,1-2H3/b17-10-
InChIKeyZCPSWYCLSVBVJU-YVLHZVERSA-N
MW384.25 g/mol
LogP3.27
Rot. Bonds5

About (NZ)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]benzenesulfonamide

(NZ)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]benzenesulfonamide (PubChem CID 110518789) has the molecular formula C15H14BrNO4S and a molecular weight of 384.25 g/mol. Its IUPAC name is (NZ)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]benzenesulfonamide
PubChem CID110518789
Molecular FormulaC15H14BrNO4S
Molecular Weight384.25 g/mol
Exact Mass382.98
IUPAC Name(NZ)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]benzenesulfonamide
SMILESCOc1cc(/C=N\S(=O)(=O)c2ccccc2)cc(Br)c1OC
InChIInChI=1S/C15H14BrNO4S/c1-20-14-9-11(8-13(16)15(14)21-2)10-17-22(18,19)12-6-4-3-5-7-12/h3-10H,1-2H3/b17-10-
InChIKeyZCPSWYCLSVBVJU-YVLHZVERSA-N
XLogP3.27
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.25
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]-4-methylbenzenesulfonamide
CID 110519011
(NZ)-N-[(3-bromo-5-ethoxy-4-propoxyphenyl)methylidene]benzenesulfonamide
CID 110518761
(NZ)-N-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylidene]thiophene-2-sulfonamide
CID 110518635
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzenesulfonamide
CID 110516421
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]methanamine
CID 110507338
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-nitrobenzenesulfonamide
CID 110517357
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516716
dimethyl 2-[[4-(benzenesulfonyloxy)-3-bromo-5-methoxyphenyl]methylidene]propanedioate
CID 126075940
1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine
CID 50885405
(E)-N-(benzenesulfonyl)-3-(3-bromo-4,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)prop-2-enamide
CID 19219589
(NE)-N-[(3,4,5-trimethoxyphenyl)methylidene]benzenesulfinamide
CID 135035394
N-[(3,4-dimethoxyphenyl)methylidene]pyridin-1-ium-3-sulfonamide
CID 2242402

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]benzenesulfonamide?
The IUPAC name of (NZ)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]benzenesulfonamide (CID 110518789) is (NZ)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]benzenesulfonamide.
What is the SMILES notation for (NZ)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]benzenesulfonamide?
The canonical SMILES for (NZ)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]benzenesulfonamide is COc1cc(/C=N\S(=O)(=O)c2ccccc2)cc(Br)c1OC.
What is the InChIKey of (NZ)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]benzenesulfonamide?
The InChIKey is ZCPSWYCLSVBVJU-YVLHZVERSA-N. The full InChI is InChI=1S/C15H14BrNO4S/c1-20-14-9-11(8-13(16)15(14)21-2)10-17-22(18,19)12-6-4-3-5-7-12/h3-10H,1-2H3/b17-10-.
What are the key properties of (NZ)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]benzenesulfonamide?
(NZ)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]benzenesulfonamide has a molecular weight of 384.25 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3-bromo-4,5-dimethoxyphenyl)methylidene]benzenesulfonamide is sourced from PubChem (CID 110518789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).