N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide

C14H13BrN2O3S — CID 135541690

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C14H13BrN2O3S/c1-10-2-5-13(6-3-10)21(19,20)17-16-9-11-8-12(15)4-7-14(11)18/h2-9,17-18H,1H3/b16-9+
InChIKeyPBEIAQYKTXKQGF-CXUHLZMHSA-N
MW369.24 g/mol
LogP2.78
Rot. Bonds4

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 135541690) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID135541690
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2cc(Br)ccc2O)cc1
InChIInChI=1S/C14H13BrN2O3S/c1-10-2-5-13(6-3-10)21(19,20)17-16-9-11-8-12(15)4-7-14(11)18/h2-9,17-18H,1H3/b16-9+
InChIKeyPBEIAQYKTXKQGF-CXUHLZMHSA-N
XLogP2.78
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide 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

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide
CID 135519253
4-bromo-N-[(2,3-dihydroxyphenyl)methylideneamino]benzenesulfonamide
CID 2643270
4-bromo-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135752191
N-[(2-bromo-4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 171034814
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]benzenesulfonamide
CID 139074353
N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 174212459
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 136774445
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135647548
N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6873841
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 135783691
[4-bromo-2-[[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 3850683
N-[(2,4-dichlorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 668213

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide (CID 135541690) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2cc(Br)ccc2O)cc1.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is PBEIAQYKTXKQGF-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c1-10-2-5-13(6-3-10)21(19,20)17-16-9-11-8-12(15)4-7-14(11)18/h2-9,17-18H,1H3/b16-9+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 369.24 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 135541690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).