N'-(benzenesulfonyl)-3-methoxybenzo[f][1]benzofuran-2-carbohydrazide

C20H16N2O5S — CID 10222364

IUPACN'-(benzenesulfonyl)-3-methoxybenzo[f][1]benzofuran-2-carbohydrazide
SMILESCOc1c(C(=O)NNS(=O)(=O)c2ccccc2)oc2cc3ccccc3cc12
InChIInChI=1S/C20H16N2O5S/c1-26-18-16-11-13-7-5-6-8-14(13)12-17(16)27-19(18)20(23)21-22-28(24,25)15-9-3-2-4-10-15/h2-12,22H,1H3,(H,21,23)
InChIKeyTYMUPANXHFMVNT-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.22
Rot. Bonds5

About N'-(benzenesulfonyl)-3-methoxybenzo[f][1]benzofuran-2-carbohydrazide

N'-(benzenesulfonyl)-3-methoxybenzo[f][1]benzofuran-2-carbohydrazide (PubChem CID 10222364) has the molecular formula C20H16N2O5S and a molecular weight of 396.42 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-3-methoxybenzo[f][1]benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-3-methoxybenzo[f][1]benzofuran-2-carbohydrazide
PubChem CID10222364
Molecular FormulaC20H16N2O5S
Molecular Weight396.42 g/mol
Exact Mass396.08
IUPAC NameN'-(benzenesulfonyl)-3-methoxybenzo[f][1]benzofuran-2-carbohydrazide
SMILESCOc1c(C(=O)NNS(=O)(=O)c2ccccc2)oc2cc3ccccc3cc12
InChIInChI=1S/C20H16N2O5S/c1-26-18-16-11-13-7-5-6-8-14(13)12-17(16)27-19(18)20(23)21-22-28(24,25)15-9-3-2-4-10-15/h2-12,22H,1H3,(H,21,23)
InChIKeyTYMUPANXHFMVNT-UHFFFAOYSA-N
XLogP3.22
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(benzenesulfonyl)-3-methoxybenzo[f][1]benzofuran-2-carbohydrazide 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

N'-(benzenesulfonyl)-4-methoxybenzohydrazide
CID 795528
N'-(4-methoxy-3-methylphenyl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide
CID 39826924
N'-(benzenesulfonyl)naphthalene-2-carbohydrazide
CID 91444236
N'-(benzenesulfonyl)-2-(4-methoxyphenoxy)acetohydrazide
CID 917648
1-[3-(benzenesulfonyl)benzo[f][1]benzofuran-2-yl]ethanone
CID 129245021
N'-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzenesulfonohydrazide
CID 2643082
sodium N'-(benzenesulfonyl)benzohydrazide
CID 54612136
7-methoxy-N'-(3-methoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide
CID 59980859
N'-(benzenesulfonyl)-5-(dimethylamino)-1-benzofuran-2-carbohydrazide
CID 59980820
7-methoxy-N'-(3-methylphenyl)sulfonyl-1-benzofuran-2-carbohydrazide
CID 10155424
N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 51155700
4-hydroxy-N'-naphthalen-2-ylsulfonylbenzohydrazide
CID 2367622

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-3-methoxybenzo[f][1]benzofuran-2-carbohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-3-methoxybenzo[f][1]benzofuran-2-carbohydrazide (CID 10222364) is N'-(benzenesulfonyl)-3-methoxybenzo[f][1]benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-3-methoxybenzo[f][1]benzofuran-2-carbohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-3-methoxybenzo[f][1]benzofuran-2-carbohydrazide is COc1c(C(=O)NNS(=O)(=O)c2ccccc2)oc2cc3ccccc3cc12.
What is the InChIKey of N'-(benzenesulfonyl)-3-methoxybenzo[f][1]benzofuran-2-carbohydrazide?
The InChIKey is TYMUPANXHFMVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5S/c1-26-18-16-11-13-7-5-6-8-14(13)12-17(16)27-19(18)20(23)21-22-28(24,25)15-9-3-2-4-10-15/h2-12,22H,1H3,(H,21,23).
What are the key properties of N'-(benzenesulfonyl)-3-methoxybenzo[f][1]benzofuran-2-carbohydrazide?
N'-(benzenesulfonyl)-3-methoxybenzo[f][1]benzofuran-2-carbohydrazide has a molecular weight of 396.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-3-methoxybenzo[f][1]benzofuran-2-carbohydrazide is sourced from PubChem (CID 10222364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).