2-(4-methoxyphenyl)sulfonyl-N',N'-dimethylbenzohydrazide

C16H18N2O4S — CID 15421721

IUPAC2-(4-methoxyphenyl)sulfonyl-N',N'-dimethylbenzohydrazide
SMILESCOc1ccc(S(=O)(=O)c2ccccc2C(=O)NN(C)C)cc1
InChIInChI=1S/C16H18N2O4S/c1-18(2)17-16(19)14-6-4-5-7-15(14)23(20,21)13-10-8-12(22-3)9-11-13/h4-11H,1-3H3,(H,17,19)
InChIKeyILIHXZONORKTBE-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.73
Rot. Bonds5

About 2-(4-methoxyphenyl)sulfonyl-N',N'-dimethylbenzohydrazide

2-(4-methoxyphenyl)sulfonyl-N',N'-dimethylbenzohydrazide (PubChem CID 15421721) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonyl-N',N'-dimethylbenzohydrazide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonyl-N',N'-dimethylbenzohydrazide
PubChem CID15421721
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-(4-methoxyphenyl)sulfonyl-N',N'-dimethylbenzohydrazide
SMILESCOc1ccc(S(=O)(=O)c2ccccc2C(=O)NN(C)C)cc1
InChIInChI=1S/C16H18N2O4S/c1-18(2)17-16(19)14-6-4-5-7-15(14)23(20,21)13-10-8-12(22-3)9-11-13/h4-11H,1-3H3,(H,17,19)
InChIKeyILIHXZONORKTBE-UHFFFAOYSA-N
XLogP1.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(4-methoxyphenyl)sulfonyl-N',N'-dimethylbenzohydrazide?
The IUPAC name of 2-(4-methoxyphenyl)sulfonyl-N',N'-dimethylbenzohydrazide (CID 15421721) is 2-(4-methoxyphenyl)sulfonyl-N',N'-dimethylbenzohydrazide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonyl-N',N'-dimethylbenzohydrazide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonyl-N',N'-dimethylbenzohydrazide is COc1ccc(S(=O)(=O)c2ccccc2C(=O)NN(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonyl-N',N'-dimethylbenzohydrazide?
The InChIKey is ILIHXZONORKTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-18(2)17-16(19)14-6-4-5-7-15(14)23(20,21)13-10-8-12(22-3)9-11-13/h4-11H,1-3H3,(H,17,19).
What are the key properties of 2-(4-methoxyphenyl)sulfonyl-N',N'-dimethylbenzohydrazide?
2-(4-methoxyphenyl)sulfonyl-N',N'-dimethylbenzohydrazide has a molecular weight of 334.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonyl-N',N'-dimethylbenzohydrazide is sourced from PubChem (CID 15421721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).