N'-(benzenesulfonyl)-3-methoxybenzohydrazide

C14H14N2O4S — CID 813049

IUPACN'-(benzenesulfonyl)-3-methoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C14H14N2O4S/c1-20-12-7-5-6-11(10-12)14(17)15-16-21(18,19)13-8-3-2-4-9-13/h2-10,16H,1H3,(H,15,17)
InChIKeyJTDNXIFAMDFYHZ-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.32
Rot. Bonds5

About N'-(benzenesulfonyl)-3-methoxybenzohydrazide

N'-(benzenesulfonyl)-3-methoxybenzohydrazide (PubChem CID 813049) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-3-methoxybenzohydrazide
PubChem CID813049
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC NameN'-(benzenesulfonyl)-3-methoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C14H14N2O4S/c1-20-12-7-5-6-11(10-12)14(17)15-16-21(18,19)13-8-3-2-4-9-13/h2-10,16H,1H3,(H,15,17)
InChIKeyJTDNXIFAMDFYHZ-UHFFFAOYSA-N
XLogP1.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-3-methoxybenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-3-methoxybenzohydrazide (CID 813049) is N'-(benzenesulfonyl)-3-methoxybenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-3-methoxybenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-3-methoxybenzohydrazide is COc1cccc(C(=O)NNS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N'-(benzenesulfonyl)-3-methoxybenzohydrazide?
The InChIKey is JTDNXIFAMDFYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-20-12-7-5-6-11(10-12)14(17)15-16-21(18,19)13-8-3-2-4-9-13/h2-10,16H,1H3,(H,15,17).
What are the key properties of N'-(benzenesulfonyl)-3-methoxybenzohydrazide?
N'-(benzenesulfonyl)-3-methoxybenzohydrazide has a molecular weight of 306.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-3-methoxybenzohydrazide is sourced from PubChem (CID 813049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).