3-bromo-N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]benzamide

C24H18BrN3O3S — CID 69458221

IUPAC3-bromo-N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C=NNS(=O)(=O)c2ccc3ccccc3c2)cc1)c1cccc(Br)c1
InChIInChI=1S/C24H18BrN3O3S/c25-21-7-3-6-20(14-21)24(29)27-22-11-8-17(9-12-22)16-26-28-32(30,31)23-13-10-18-4-1-2-5-19(18)15-23/h1-16,28H,(H,27,29)
InChIKeyMMDZCCOMGDBBLD-UHFFFAOYSA-N
MW508.40 g/mol
LogP5.17
Rot. Bonds6

About 3-bromo-N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]benzamide

3-bromo-N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]benzamide (PubChem CID 69458221) has the molecular formula C24H18BrN3O3S and a molecular weight of 508.40 g/mol. Its IUPAC name is 3-bromo-N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]benzamide
PubChem CID69458221
Molecular FormulaC24H18BrN3O3S
Molecular Weight508.40 g/mol
Exact Mass507.03
IUPAC Name3-bromo-N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C=NNS(=O)(=O)c2ccc3ccccc3c2)cc1)c1cccc(Br)c1
InChIInChI=1S/C24H18BrN3O3S/c25-21-7-3-6-20(14-21)24(29)27-22-11-8-17(9-12-22)16-26-28-32(30,31)23-13-10-18-4-1-2-5-19(18)15-23/h1-16,28H,(H,27,29)
InChIKeyMMDZCCOMGDBBLD-UHFFFAOYSA-N
XLogP5.17
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.40
LogP ≤ 55.17
H-Bond Donors ≤ 52
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

N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]-4-nitrobenzamide
CID 69461038
3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219664
2-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]benzoic acid
CID 69459382
3-(benzenesulfonamido)-N-naphthalen-2-ylbenzamide
CID 41448840
3-bromo-N-naphthalen-2-ylbenzenesulfonamide
CID 7938660
3-[(4-methylphenyl)sulfonylamino]-N-naphthalen-2-ylbenzamide
CID 9412821
4-[(3-bromobenzoyl)amino]benzoate
CID 6943789
4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide
CID 5414863
(E)-3-[4-[(3-bromobenzoyl)amino]phenyl]prop-2-enoic acid
CID 43411616
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide
CID 2828054
N-(4-formylphenyl)naphthalene-2-carboxamide
CID 87842384

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]benzamide (CID 69458221) is 3-bromo-N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]benzamide is O=C(Nc1ccc(C=NNS(=O)(=O)c2ccc3ccccc3c2)cc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]benzamide?
The InChIKey is MMDZCCOMGDBBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN3O3S/c25-21-7-3-6-20(14-21)24(29)27-22-11-8-17(9-12-22)16-26-28-32(30,31)23-13-10-18-4-1-2-5-19(18)15-23/h1-16,28H,(H,27,29).
What are the key properties of 3-bromo-N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]benzamide?
3-bromo-N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]benzamide has a molecular weight of 508.40 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-[(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl]benzamide is sourced from PubChem (CID 69458221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).