N'-(3,4-dimethoxyphenyl)sulfonylpyrazine-2-carbohydrazide

C13H14N4O5S — CID 18231234

IUPACN'-(3,4-dimethoxyphenyl)sulfonylpyrazine-2-carbohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)c2cnccn2)cc1OC
InChIInChI=1S/C13H14N4O5S/c1-21-11-4-3-9(7-12(11)22-2)23(19,20)17-16-13(18)10-8-14-5-6-15-10/h3-8,17H,1-2H3,(H,16,18)
InChIKeyBTVUNDDFBJTYPV-UHFFFAOYSA-N
MW338.35 g/mol
LogP0.12
Rot. Bonds6

About N'-(3,4-dimethoxyphenyl)sulfonylpyrazine-2-carbohydrazide

N'-(3,4-dimethoxyphenyl)sulfonylpyrazine-2-carbohydrazide (PubChem CID 18231234) has the molecular formula C13H14N4O5S and a molecular weight of 338.35 g/mol. Its IUPAC name is N'-(3,4-dimethoxyphenyl)sulfonylpyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3,4-dimethoxyphenyl)sulfonylpyrazine-2-carbohydrazide
PubChem CID18231234
Molecular FormulaC13H14N4O5S
Molecular Weight338.35 g/mol
Exact Mass338.07
IUPAC NameN'-(3,4-dimethoxyphenyl)sulfonylpyrazine-2-carbohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)c2cnccn2)cc1OC
InChIInChI=1S/C13H14N4O5S/c1-21-11-4-3-9(7-12(11)22-2)23(19,20)17-16-13(18)10-8-14-5-6-15-10/h3-8,17H,1-2H3,(H,16,18)
InChIKeyBTVUNDDFBJTYPV-UHFFFAOYSA-N
XLogP0.12
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 50.12
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'-(3-bromophenyl)sulfonylpyrazine-2-carbohydrazide
CID 18207978
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CID 42016001
[(3,4-dimethoxyphenyl)sulfonylamino]thiourea
CID 65214843
3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide
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ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate
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2-(4-tert-butylphenoxy)-N'-(3,4-dimethoxyphenyl)sulfonylacetohydrazide
CID 8505175
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 90786253
N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide
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N'-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrazine-2-carbohydrazide
CID 24622020
N-(4-methoxy-3-nitrophenyl)pyrazine-2-carboxamide
CID 108796825
3,4-dimethoxy-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 8523716

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethoxyphenyl)sulfonylpyrazine-2-carbohydrazide?
The IUPAC name of N'-(3,4-dimethoxyphenyl)sulfonylpyrazine-2-carbohydrazide (CID 18231234) is N'-(3,4-dimethoxyphenyl)sulfonylpyrazine-2-carbohydrazide.
What is the SMILES notation for N'-(3,4-dimethoxyphenyl)sulfonylpyrazine-2-carbohydrazide?
The canonical SMILES for N'-(3,4-dimethoxyphenyl)sulfonylpyrazine-2-carbohydrazide is COc1ccc(S(=O)(=O)NNC(=O)c2cnccn2)cc1OC.
What is the InChIKey of N'-(3,4-dimethoxyphenyl)sulfonylpyrazine-2-carbohydrazide?
The InChIKey is BTVUNDDFBJTYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O5S/c1-21-11-4-3-9(7-12(11)22-2)23(19,20)17-16-13(18)10-8-14-5-6-15-10/h3-8,17H,1-2H3,(H,16,18).
What are the key properties of N'-(3,4-dimethoxyphenyl)sulfonylpyrazine-2-carbohydrazide?
N'-(3,4-dimethoxyphenyl)sulfonylpyrazine-2-carbohydrazide has a molecular weight of 338.35 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethoxyphenyl)sulfonylpyrazine-2-carbohydrazide is sourced from PubChem (CID 18231234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).