N'-(3-bromophenyl)sulfonyl-4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide

C22H17BrN4O5S — CID 126842721

IUPACN'-(3-bromophenyl)sulfonyl-4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide
SMILESCOc1ccccc1-c1nnc(-c2ccc(C(=O)NNS(=O)(=O)c3cccc(Br)c3)cc2)o1
InChIInChI=1S/C22H17BrN4O5S/c1-31-19-8-3-2-7-18(19)22-26-25-21(32-22)15-11-9-14(10-12-15)20(28)24-27-33(29,30)17-6-4-5-16(23)13-17/h2-13,27H,1H3,(H,24,28)
InChIKeyYIRVGCBKYDYRNN-UHFFFAOYSA-N
MW529.37 g/mol
LogP3.80
Rot. Bonds7

About N'-(3-bromophenyl)sulfonyl-4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide

N'-(3-bromophenyl)sulfonyl-4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide (PubChem CID 126842721) has the molecular formula C22H17BrN4O5S and a molecular weight of 529.37 g/mol. Its IUPAC name is N'-(3-bromophenyl)sulfonyl-4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide.

Molecular Properties

Compound NameN'-(3-bromophenyl)sulfonyl-4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide
PubChem CID126842721
Molecular FormulaC22H17BrN4O5S
Molecular Weight529.37 g/mol
Exact Mass528.01
IUPAC NameN'-(3-bromophenyl)sulfonyl-4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide
SMILESCOc1ccccc1-c1nnc(-c2ccc(C(=O)NNS(=O)(=O)c3cccc(Br)c3)cc2)o1
InChIInChI=1S/C22H17BrN4O5S/c1-31-19-8-3-2-7-18(19)22-26-25-21(32-22)15-11-9-14(10-12-15)20(28)24-27-33(29,30)17-6-4-5-16(23)13-17/h2-13,27H,1H3,(H,24,28)
InChIKeyYIRVGCBKYDYRNN-UHFFFAOYSA-N
XLogP3.80
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-(3-bromophenyl)sulfonyl-4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide 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-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 137228616
N'-(benzenesulfonyl)-3-bromobenzohydrazide
CID 1035450
4-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 26979377
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 90786253
N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide
CID 26966791
N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 8523669
N-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide
CID 10595444
N'-(benzenesulfonyl)-4-methoxybenzohydrazide
CID 795528
N-[2-(2-methoxyphenoxy)ethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 46558814
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2158917
N'-(2-methoxyphenyl)sulfonylbenzohydrazide
CID 51170282
3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide
CID 8616663

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromophenyl)sulfonyl-4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide?
The IUPAC name of N'-(3-bromophenyl)sulfonyl-4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide (CID 126842721) is N'-(3-bromophenyl)sulfonyl-4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide.
What is the SMILES notation for N'-(3-bromophenyl)sulfonyl-4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide?
The canonical SMILES for N'-(3-bromophenyl)sulfonyl-4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide is COc1ccccc1-c1nnc(-c2ccc(C(=O)NNS(=O)(=O)c3cccc(Br)c3)cc2)o1.
What is the InChIKey of N'-(3-bromophenyl)sulfonyl-4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide?
The InChIKey is YIRVGCBKYDYRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4O5S/c1-31-19-8-3-2-7-18(19)22-26-25-21(32-22)15-11-9-14(10-12-15)20(28)24-27-33(29,30)17-6-4-5-16(23)13-17/h2-13,27H,1H3,(H,24,28).
What are the key properties of N'-(3-bromophenyl)sulfonyl-4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide?
N'-(3-bromophenyl)sulfonyl-4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide has a molecular weight of 529.37 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromophenyl)sulfonyl-4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide is sourced from PubChem (CID 126842721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).