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

C23H22BrN5O7S2 — CID 4857746

IUPACN-[4-[[2-[2-[4-[(4-bromophenyl)sulfonylamino]benzoyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C23H22BrN5O7S2/c1-15(30)26-18-8-12-20(13-9-18)37(33,34)25-14-22(31)27-28-23(32)16-2-6-19(7-3-16)29-38(35,36)21-10-4-17(24)5-11-21/h2-13,25,29H,14H2,1H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyRHAAVUPFVLYKNY-UHFFFAOYSA-N
MW624.50 g/mol
LogP1.95
Rot. Bonds9

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

N-[4-[[2-[2-[4-[(4-bromophenyl)sulfonylamino]benzoyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide (PubChem CID 4857746) has the molecular formula C23H22BrN5O7S2 and a molecular weight of 624.50 g/mol. Its IUPAC name is N-[4-[[2-[2-[4-[(4-bromophenyl)sulfonylamino]benzoyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-[2-[4-[(4-bromophenyl)sulfonylamino]benzoyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide
PubChem CID4857746
Molecular FormulaC23H22BrN5O7S2
Molecular Weight624.50 g/mol
Exact Mass623.01
IUPAC NameN-[4-[[2-[2-[4-[(4-bromophenyl)sulfonylamino]benzoyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C23H22BrN5O7S2/c1-15(30)26-18-8-12-20(13-9-18)37(33,34)25-14-22(31)27-28-23(32)16-2-6-19(7-3-16)29-38(35,36)21-10-4-17(24)5-11-21/h2-13,25,29H,14H2,1H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyRHAAVUPFVLYKNY-UHFFFAOYSA-N
XLogP1.95
TPSA179.64 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.50
LogP ≤ 51.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-[(4-bromophenyl)sulfonylamino]acetamide
CID 1316272
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide
CID 29371083
4-[(4-bromophenyl)sulfonylamino]-N-(4-chlorophenyl)benzamide
CID 3868276
N-[4-(acetylsulfamoyl)phenyl]-4-bromobenzamide
CID 4134405
N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112998475
4-ethoxy-N-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 9492767
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216
N-[(2S)-1-[2-[4-[(4-bromophenyl)sulfonylamino]benzoyl]hydrazinyl]-1-oxopropan-2-yl]-4-methylbenzenesulfonamide
CID 98396439
methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 669173
N-(4-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 35436567
N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide
CID 54790881

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[2-[4-[(4-bromophenyl)sulfonylamino]benzoyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-[2-[4-[(4-bromophenyl)sulfonylamino]benzoyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide (CID 4857746) is N-[4-[[2-[2-[4-[(4-bromophenyl)sulfonylamino]benzoyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-[2-[4-[(4-bromophenyl)sulfonylamino]benzoyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-[2-[4-[(4-bromophenyl)sulfonylamino]benzoyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of N-[4-[[2-[2-[4-[(4-bromophenyl)sulfonylamino]benzoyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide?
The InChIKey is RHAAVUPFVLYKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN5O7S2/c1-15(30)26-18-8-12-20(13-9-18)37(33,34)25-14-22(31)27-28-23(32)16-2-6-19(7-3-16)29-38(35,36)21-10-4-17(24)5-11-21/h2-13,25,29H,14H2,1H3,(H,26,30)(H,27,31)(H,28,32).
What are the key properties of N-[4-[[2-[2-[4-[(4-bromophenyl)sulfonylamino]benzoyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide?
N-[4-[[2-[2-[4-[(4-bromophenyl)sulfonylamino]benzoyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide has a molecular weight of 624.50 g/mol, XLogP of 1.95, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[2-[4-[(4-bromophenyl)sulfonylamino]benzoyl]hydrazinyl]-2-oxoethyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4857746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).