N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide

C15H15BrN2O2S — CID 72792791

IUPACN-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccccc1Br
InChIInChI=1S/C15H15BrN2O2S/c1-11-7-9-13(10-8-11)21(19,20)18-17-12(2)14-5-3-4-6-15(14)16/h3-10,18H,1-2H3/b17-12-
InChIKeyZCUGRBRYOCZMCT-ATVHPVEESA-N
MW367.27 g/mol
LogP3.46
Rot. Bonds4

About N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide

N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide (PubChem CID 72792791) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide
PubChem CID72792791
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC NameN-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccccc1Br
InChIInChI=1S/C15H15BrN2O2S/c1-11-7-9-13(10-8-11)21(19,20)18-17-12(2)14-5-3-4-6-15(14)16/h3-10,18H,1-2H3/b17-12-
InChIKeyZCUGRBRYOCZMCT-ATVHPVEESA-N
XLogP3.46
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-methyl-N-[1-(2-methylphenyl)ethylideneamino]benzenesulfonamide
CID 141470988
N-[1-(2-aminophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 78093079
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
N-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 9073289
4-bromo-N-[1-(2-chlorophenyl)ethylideneamino]benzenesulfonamide
CID 3580337
4-bromo-N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]benzenesulfonamide
CID 6009587
4-methyl-N-[[1-[(4-methylphenyl)sulfonylhydrazinylidene]-1-phenylpropan-2-ylidene]amino]benzenesulfonamide
CID 6817467
N-[1-(2-amino-5-naphthalen-1-ylphenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 151981962
N-[4-[[(Z)-1-(2-hydroxyphenyl)ethylideneamino]sulfamoyl]phenyl]acetamide
CID 135431303
N-[(E)-1-(2-fluoro-5-iodophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 88570108
N-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide
CID 169370890
N'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9155868

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide (CID 72792791) is N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide is C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccccc1Br.
What is the InChIKey of N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is ZCUGRBRYOCZMCT-ATVHPVEESA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-11-7-9-13(10-8-11)21(19,20)18-17-12(2)14-5-3-4-6-15(14)16/h3-10,18H,1-2H3/b17-12-.
What are the key properties of N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide?
N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 367.27 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 72792791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).