4-bromo-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide

C14H12BrCl2N3O3S — CID 50892385

IUPAC4-bromo-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
SMILESNNC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrCl2N3O3S/c15-9-4-6-10(7-5-9)24(22,23)20(8-13(21)19-18)12-3-1-2-11(16)14(12)17/h1-7H,8,18H2,(H,19,21)
InChIKeyXCMIFTACYWROJV-UHFFFAOYSA-N
MW453.15 g/mol
LogP2.94
Rot. Bonds5

About 4-bromo-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide

4-bromo-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide (PubChem CID 50892385) has the molecular formula C14H12BrCl2N3O3S and a molecular weight of 453.15 g/mol. Its IUPAC name is 4-bromo-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
PubChem CID50892385
Molecular FormulaC14H12BrCl2N3O3S
Molecular Weight453.15 g/mol
Exact Mass450.92
IUPAC Name4-bromo-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
SMILESNNC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrCl2N3O3S/c15-9-4-6-10(7-5-9)24(22,23)20(8-13(21)19-18)12-3-1-2-11(16)14(12)17/h1-7H,8,18H2,(H,19,21)
InChIKeyXCMIFTACYWROJV-UHFFFAOYSA-N
XLogP2.94
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.15
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892150
4-bromo-N-(2-hydrazinyl-2-oxoethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 50893745
4-chloro-N-(2,6-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892466
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide
CID 555613
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide
CID 3598869
2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetyl chloride
CID 50895334
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride
CID 50892343
N-[4-[(4-bromophenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889129
4-bromo-N-(2,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50891831
2-(N-(4-bromophenyl)sulfonyl-3-chloro-2-methylanilino)acetic acid
CID 50895830
2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid
CID 50889512
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 2228989

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide (CID 50892385) is 4-bromo-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide is NNC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
The InChIKey is XCMIFTACYWROJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2N3O3S/c15-9-4-6-10(7-5-9)24(22,23)20(8-13(21)19-18)12-3-1-2-11(16)14(12)17/h1-7H,8,18H2,(H,19,21).
What are the key properties of 4-bromo-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide?
4-bromo-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide has a molecular weight of 453.15 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 50892385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).