N'-(4-bromobenzoyl)-2-chloro-5-methylsulfonylbenzohydrazide

C15H12BrClN2O4S — CID 78773954

IUPACN'-(4-bromobenzoyl)-2-chloro-5-methylsulfonylbenzohydrazide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H12BrClN2O4S/c1-24(22,23)11-6-7-13(17)12(8-11)15(21)19-18-14(20)9-2-4-10(16)5-3-9/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyUSLNSJHKFSNZCK-UHFFFAOYSA-N
MW431.70 g/mol
LogP2.58
Rot. Bonds3

About N'-(4-bromobenzoyl)-2-chloro-5-methylsulfonylbenzohydrazide

N'-(4-bromobenzoyl)-2-chloro-5-methylsulfonylbenzohydrazide (PubChem CID 78773954) has the molecular formula C15H12BrClN2O4S and a molecular weight of 431.70 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)-2-chloro-5-methylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)-2-chloro-5-methylsulfonylbenzohydrazide
PubChem CID78773954
Molecular FormulaC15H12BrClN2O4S
Molecular Weight431.70 g/mol
Exact Mass429.94
IUPAC NameN'-(4-bromobenzoyl)-2-chloro-5-methylsulfonylbenzohydrazide
SMILESCS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C15H12BrClN2O4S/c1-24(22,23)11-6-7-13(17)12(8-11)15(21)19-18-14(20)9-2-4-10(16)5-3-9/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyUSLNSJHKFSNZCK-UHFFFAOYSA-N
XLogP2.58
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.70
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(4-bromobenzoyl)-2-chloro-5-methylsulfonylbenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-[[(4-chlorobenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide
CID 9442420
N'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 31289347
N'-(4-bromobenzoyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 1283505
4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 24634435
2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide
CID 7899858
5-(4-bromophenyl)-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide
CID 38633334
N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-methylsulfonylbenzamide
CID 55921133
4-chloro-N'-(4-methylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 34967132
5-bromo-2-chloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 35929301
N'-(4-bromobenzoyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzohydrazide
CID 24640878
1-(4-chlorophenyl)-2,5-dimethyl-N'-(4-methylsulfonylbenzoyl)pyrrole-3-carbohydrazide
CID 52711613
N-(2-chloro-5-methylsulfonylphenyl)benzamide
CID 8913636

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)-2-chloro-5-methylsulfonylbenzohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)-2-chloro-5-methylsulfonylbenzohydrazide (CID 78773954) is N'-(4-bromobenzoyl)-2-chloro-5-methylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)-2-chloro-5-methylsulfonylbenzohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)-2-chloro-5-methylsulfonylbenzohydrazide is CS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of N'-(4-bromobenzoyl)-2-chloro-5-methylsulfonylbenzohydrazide?
The InChIKey is USLNSJHKFSNZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O4S/c1-24(22,23)11-6-7-13(17)12(8-11)15(21)19-18-14(20)9-2-4-10(16)5-3-9/h2-8H,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4-bromobenzoyl)-2-chloro-5-methylsulfonylbenzohydrazide?
N'-(4-bromobenzoyl)-2-chloro-5-methylsulfonylbenzohydrazide has a molecular weight of 431.70 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromobenzoyl)-2-chloro-5-methylsulfonylbenzohydrazide is sourced from PubChem (CID 78773954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).