3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide

C14H16N2O6S2 — CID 8523641

IUPAC3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2cccs2)cc(OC)c1OC
InChIInChI=1S/C14H16N2O6S2/c1-20-10-7-9(8-11(21-2)13(10)22-3)14(17)15-16-24(18,19)12-5-4-6-23-12/h4-8,16H,1-3H3,(H,15,17)
InChIKeyHFHJNCCBEWMQBJ-UHFFFAOYSA-N
MW372.42 g/mol
LogP1.40
Rot. Bonds7

About 3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide

3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide (PubChem CID 8523641) has the molecular formula C14H16N2O6S2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide
PubChem CID8523641
Molecular FormulaC14H16N2O6S2
Molecular Weight372.42 g/mol
Exact Mass372.04
IUPAC Name3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2cccs2)cc(OC)c1OC
InChIInChI=1S/C14H16N2O6S2/c1-20-10-7-9(8-11(21-2)13(10)22-3)14(17)15-16-24(18,19)12-5-4-6-23-12/h4-8,16H,1-3H3,(H,15,17)
InChIKeyHFHJNCCBEWMQBJ-UHFFFAOYSA-N
XLogP1.40
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-thiophen-2-ylsulfonylacetohydrazide
CID 8500698
N'-(3,4-dimethylphenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 26980277
4-chloro-N'-thiophen-2-ylsulfonylbenzohydrazide
CID 8500420
N'-(3-cyanophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 8523669
N'-hydroxythiophene-2-sulfonohydrazide
CID 67151955
3,4,5-trimethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
CID 8523659
N'-(2,4-difluorophenyl)sulfonyl-3,4,5-trimethoxybenzohydrazide
CID 8523643
3,4,5-trimethoxy-N'-(3-thiophen-2-ylprop-2-enoyl)benzohydrazide
CID 1416483
3,4,5-trimethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid
CID 17426161
N-[1-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
CID 55914783
3,4,5-trimethoxy-N'-(4-methyl-3-nitrophenyl)sulfonylbenzohydrazide
CID 26680885
3,4,5-trimethoxy-N'-(3-methylsulfonylbenzoyl)benzohydrazide
CID 31301682

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide?
The IUPAC name of 3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide (CID 8523641) is 3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide.
What is the SMILES notation for 3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide?
The canonical SMILES for 3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide is COc1cc(C(=O)NNS(=O)(=O)c2cccs2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide?
The InChIKey is HFHJNCCBEWMQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O6S2/c1-20-10-7-9(8-11(21-2)13(10)22-3)14(17)15-16-24(18,19)12-5-4-6-23-12/h4-8,16H,1-3H3,(H,15,17).
What are the key properties of 3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide?
3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide has a molecular weight of 372.42 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide is sourced from PubChem (CID 8523641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).