N'-(benzenesulfonyl)-3,5-dimethoxybenzohydrazide

C15H16N2O5S — CID 3136228

IUPACN'-(benzenesulfonyl)-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H16N2O5S/c1-21-12-8-11(9-13(10-12)22-2)15(18)16-17-23(19,20)14-6-4-3-5-7-14/h3-10,17H,1-2H3,(H,16,18)
InChIKeyNDQXCMXAEMJMQC-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.33
Rot. Bonds6

About N'-(benzenesulfonyl)-3,5-dimethoxybenzohydrazide

N'-(benzenesulfonyl)-3,5-dimethoxybenzohydrazide (PubChem CID 3136228) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-3,5-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-3,5-dimethoxybenzohydrazide
PubChem CID3136228
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC NameN'-(benzenesulfonyl)-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H16N2O5S/c1-21-12-8-11(9-13(10-12)22-2)15(18)16-17-23(19,20)14-6-4-3-5-7-14/h3-10,17H,1-2H3,(H,16,18)
InChIKeyNDQXCMXAEMJMQC-UHFFFAOYSA-N
XLogP1.33
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide
CID 124132130
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide
CID 124132195
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide
CID 135298580
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide
CID 135298625
3,5-Dimethoxybenzohydrazide
CID 352312
N'-(3,5-Dimethoxybenzoyl)-3-phenylpropanehydrazide
CID 846324
3,5-dimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 2102438
N'-(cyclopentanecarbonyl)-3,5-dimethoxybenzohydrazide
CID 5134175
N'-phenylsulfonyl-4-methoxybenzohydrazide
CID 795528
N'-(benzenesulfonyl)-3-propoxybenzohydrazide
CID 124132112
N'-(benzenesulfonyl)-2-fluoro-5-propan-2-yloxybenzohydrazide
CID 124132116
3-ethoxy-N'-(2-fluorophenyl)sulfonyl-5-methylbenzohydrazide
CID 124132117

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-3,5-dimethoxybenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-3,5-dimethoxybenzohydrazide (CID 3136228) is N'-(benzenesulfonyl)-3,5-dimethoxybenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-3,5-dimethoxybenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-3,5-dimethoxybenzohydrazide is COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N'-(benzenesulfonyl)-3,5-dimethoxybenzohydrazide?
The InChIKey is NDQXCMXAEMJMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-21-12-8-11(9-13(10-12)22-2)15(18)16-17-23(19,20)14-6-4-3-5-7-14/h3-10,17H,1-2H3,(H,16,18).
What are the key properties of N'-(benzenesulfonyl)-3,5-dimethoxybenzohydrazide?
N'-(benzenesulfonyl)-3,5-dimethoxybenzohydrazide has a molecular weight of 336.37 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-3,5-dimethoxybenzohydrazide is sourced from PubChem (CID 3136228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).