4-bromo-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide

C14H12BrNO3S — CID 59234789

IUPAC4-bromo-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide
SMILESCOc1ccc(C=NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12BrNO3S/c1-19-13-6-2-11(3-7-13)10-16-20(17,18)14-8-4-12(15)5-9-14/h2-10H,1H3
InChIKeyWGNLGWYGMCAWNE-UHFFFAOYSA-N
MW354.23 g/mol
LogP3.27
Rot. Bonds4

About 4-bromo-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide

4-bromo-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide (PubChem CID 59234789) has the molecular formula C14H12BrNO3S and a molecular weight of 354.23 g/mol. Its IUPAC name is 4-bromo-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide
PubChem CID59234789
Molecular FormulaC14H12BrNO3S
Molecular Weight354.23 g/mol
Exact Mass352.97
IUPAC Name4-bromo-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide
SMILESCOc1ccc(C=NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H12BrNO3S/c1-19-13-6-2-11(3-7-13)10-16-20(17,18)14-8-4-12(15)5-9-14/h2-10H,1H3
InChIKeyWGNLGWYGMCAWNE-UHFFFAOYSA-N
XLogP3.27
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE)-4-bromo-N-[(4-chlorophenyl)methylidene]benzenesulfonamide
CID 58360990
(NE)-N-[(4-methoxyphenyl)methylidene]-2,4,6-trimethylbenzenesulfonamide
CID 23240619
(NE)-N-[(4-bromophenyl)methylidene]methanesulfonamide
CID 135084270
(NZ)-N-[(4-ethoxyphenyl)methylidene]benzenesulfonamide
CID 110518664
(NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide
CID 11558334
(NE)-N-[(4-methylsulfonylphenyl)methylidene]benzenesulfonamide
CID 19067517
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 92511275
N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methoxybenzenesulfonamide
CID 148783161
(Z)-1-(4-methoxyphenyl)-N-oxidomethanimine
CID 11389669
(4-bromophenyl)sulfonyl-(4-methoxyphenyl)azanide
CID 5140565
4-bromo-N-[(5Z)-3-ethyl-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzenesulfonamide
CID 42228248
1-bromo-4-methoxybenzene;chromium;formaldehyde
CID 173400891

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide (CID 59234789) is 4-bromo-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide is COc1ccc(C=NS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide?
The InChIKey is WGNLGWYGMCAWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3S/c1-19-13-6-2-11(3-7-13)10-16-20(17,18)14-8-4-12(15)5-9-14/h2-10H,1H3.
What are the key properties of 4-bromo-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide?
4-bromo-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide has a molecular weight of 354.23 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide is sourced from PubChem (CID 59234789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).