N'-(4-fluorophenyl)sulfonyl-3,5-dimethoxybenzohydrazide

C15H15FN2O5S — CID 1103458

IUPACN'-(4-fluorophenyl)sulfonyl-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H15FN2O5S/c1-22-12-7-10(8-13(9-12)23-2)15(19)17-18-24(20,21)14-5-3-11(16)4-6-14/h3-9,18H,1-2H3,(H,17,19)
InChIKeyIMSIZFUTWUQPKQ-UHFFFAOYSA-N
MW354.36 g/mol
LogP1.47
Rot. Bonds6

About N'-(4-fluorophenyl)sulfonyl-3,5-dimethoxybenzohydrazide

N'-(4-fluorophenyl)sulfonyl-3,5-dimethoxybenzohydrazide (PubChem CID 1103458) has the molecular formula C15H15FN2O5S and a molecular weight of 354.36 g/mol. Its IUPAC name is N'-(4-fluorophenyl)sulfonyl-3,5-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)sulfonyl-3,5-dimethoxybenzohydrazide
PubChem CID1103458
Molecular FormulaC15H15FN2O5S
Molecular Weight354.36 g/mol
Exact Mass354.07
IUPAC NameN'-(4-fluorophenyl)sulfonyl-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H15FN2O5S/c1-22-12-7-10(8-13(9-12)23-2)15(19)17-18-24(20,21)14-5-3-11(16)4-6-14/h3-9,18H,1-2H3,(H,17,19)
InChIKeyIMSIZFUTWUQPKQ-UHFFFAOYSA-N
XLogP1.47
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.47
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-fluorobenzoyl)-3-methoxybenzohydrazide
CID 790093
N'-(4-Fluorobenzenesulfonyl)-3-hydroxybenzohydrazide
CID 809438
N'-(4-Fluorobenzenesulfonyl)-2-methoxybenzohydrazide
CID 809441
N'-(3,5-Dimethoxybenzoyl)-3-phenylpropanehydrazide
CID 846324
N'-phenylsulfonyl-4-methoxybenzohydrazide
CID 795528
N'-(benzenesulfonyl)-3-propoxybenzohydrazide
CID 124132112
N'-(benzenesulfonyl)-2-fluoro-5-propan-2-yloxybenzohydrazide
CID 124132116

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)sulfonyl-3,5-dimethoxybenzohydrazide?
The IUPAC name of N'-(4-fluorophenyl)sulfonyl-3,5-dimethoxybenzohydrazide (CID 1103458) is N'-(4-fluorophenyl)sulfonyl-3,5-dimethoxybenzohydrazide.
What is the SMILES notation for N'-(4-fluorophenyl)sulfonyl-3,5-dimethoxybenzohydrazide?
The canonical SMILES for N'-(4-fluorophenyl)sulfonyl-3,5-dimethoxybenzohydrazide is COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N'-(4-fluorophenyl)sulfonyl-3,5-dimethoxybenzohydrazide?
The InChIKey is IMSIZFUTWUQPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O5S/c1-22-12-7-10(8-13(9-12)23-2)15(19)17-18-24(20,21)14-5-3-11(16)4-6-14/h3-9,18H,1-2H3,(H,17,19).
What are the key properties of N'-(4-fluorophenyl)sulfonyl-3,5-dimethoxybenzohydrazide?
N'-(4-fluorophenyl)sulfonyl-3,5-dimethoxybenzohydrazide has a molecular weight of 354.36 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)sulfonyl-3,5-dimethoxybenzohydrazide is sourced from PubChem (CID 1103458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).