N-[4-[(4-bromophenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide

C16H17BrN4O4S — CID 50889129

IUPACN-[4-[(4-bromophenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H17BrN4O4S/c1-11(22)19-13-4-8-15(9-5-13)26(24,25)21(10-16(23)20-18)14-6-2-12(17)3-7-14/h2-9H,10,18H2,1H3,(H,19,22)(H,20,23)
InChIKeyBVMXFSGJWDTBPV-UHFFFAOYSA-N
MW441.31 g/mol
LogP1.59
Rot. Bonds6

About N-[4-[(4-bromophenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide

N-[4-[(4-bromophenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide (PubChem CID 50889129) has the molecular formula C16H17BrN4O4S and a molecular weight of 441.31 g/mol. Its IUPAC name is N-[4-[(4-bromophenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-bromophenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
PubChem CID50889129
Molecular FormulaC16H17BrN4O4S
Molecular Weight441.31 g/mol
Exact Mass440.02
IUPAC NameN-[4-[(4-bromophenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H17BrN4O4S/c1-11(22)19-13-4-8-15(9-5-13)26(24,25)21(10-16(23)20-18)14-6-2-12(17)3-7-14/h2-9H,10,18H2,1H3,(H,19,22)(H,20,23)
InChIKeyBVMXFSGJWDTBPV-UHFFFAOYSA-N
XLogP1.59
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.31
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-(4-bromophenyl)-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 30259314
4-bromo-N-(3,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50891884
N-[4-[(2,6-dimethylphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889431
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43880995
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]acetamide
CID 43881021
2-(N-(4-acetamidophenyl)sulfonyl-4-fluoroanilino)acetamide
CID 50889099
4-bromo-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892385
N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 1289283
2-(N-(4-acetamidophenyl)sulfonylanilino)acetyl chloride
CID 50889182
2-(N-(4-acetamidophenyl)sulfonyl-4-ethylanilino)acetamide
CID 50889396
N-[4-[(2-ethoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889321
N-(4-acetamidophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126153307

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromophenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-bromophenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide (CID 50889129) is N-[4-[(4-bromophenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-bromophenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-bromophenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[4-[(4-bromophenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide?
The InChIKey is BVMXFSGJWDTBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O4S/c1-11(22)19-13-4-8-15(9-5-13)26(24,25)21(10-16(23)20-18)14-6-2-12(17)3-7-14/h2-9H,10,18H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-[(4-bromophenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide?
N-[4-[(4-bromophenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide has a molecular weight of 441.31 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-bromophenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 50889129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).