N'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide

C16H16F2N2O6S — CID 8523643

IUPACN'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2ccc(F)cc2F)cc(OC)c1OC
InChIInChI=1S/C16H16F2N2O6S/c1-24-12-6-9(7-13(25-2)15(12)26-3)16(21)19-20-27(22,23)14-5-4-10(17)8-11(14)18/h4-8,20H,1-3H3,(H,19,21)
InChIKeyXRFMKEQIXQRQHN-UHFFFAOYSA-N
MW402.38 g/mol
LogP1.61
Rot. Bonds7

About N'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide

N'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide (PubChem CID 8523643) has the molecular formula C16H16F2N2O6S and a molecular weight of 402.38 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
PubChem CID8523643
Molecular FormulaC16H16F2N2O6S
Molecular Weight402.38 g/mol
Exact Mass402.07
IUPAC NameN'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2ccc(F)cc2F)cc(OC)c1OC
InChIInChI=1S/C16H16F2N2O6S/c1-24-12-6-9(7-13(25-2)15(12)26-3)16(21)19-20-27(22,23)14-5-4-10(17)8-11(14)18/h4-8,20H,1-3H3,(H,19,21)
InChIKeyXRFMKEQIXQRQHN-UHFFFAOYSA-N
XLogP1.61
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(2,4-difluorophenyl)sulfonylamino]carbamate
CID 47104395
N'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 26980277
3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide
CID 8523641
3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
CID 8523659
N'-(2,4-difluorophenyl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504905
N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 8523669
1-(2,4-difluorophenyl)-5-(3,4,5-trimethoxyphenyl)pentane-1,5-dione
CID 141003424
N'-(4-chloro-2-fluorophenyl)sulfonyl-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 26952142
3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide
CID 26680885
3-ethoxy-N'-(2-fluoro-4-methylphenyl)sulfonyl-5-methylbenzohydrazide
CID 155511214
4-bromo-N'-(2,4-difluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide
CID 17420156
2-(4-cyanophenoxy)-N'-(2,4-difluorophenyl)sulfonylacetohydrazide
CID 8614297

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide?
The IUPAC name of N'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide (CID 8523643) is N'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide.
What is the SMILES notation for N'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide?
The canonical SMILES for N'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide is COc1cc(C(=O)NNS(=O)(=O)c2ccc(F)cc2F)cc(OC)c1OC.
What is the InChIKey of N'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide?
The InChIKey is XRFMKEQIXQRQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O6S/c1-24-12-6-9(7-13(25-2)15(12)26-3)16(21)19-20-27(22,23)14-5-4-10(17)8-11(14)18/h4-8,20H,1-3H3,(H,19,21).
What are the key properties of N'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide?
N'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide has a molecular weight of 402.38 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide is sourced from PubChem (CID 8523643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).