N'-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrazine-2-carbohydrazide

C13H13N5O5S — CID 24622020

IUPACN'-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrazine-2-carbohydrazide
SMILESCc1cc([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)c2cnccn2)c1C
InChIInChI=1S/C13H13N5O5S/c1-8-5-10(18(20)21)6-12(9(8)2)24(22,23)17-16-13(19)11-7-14-3-4-15-11/h3-7,17H,1-2H3,(H,16,19)
InChIKeyKZZZYKIIDOUQQE-UHFFFAOYSA-N
MW351.34 g/mol
LogP0.62
Rot. Bonds5

About N'-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrazine-2-carbohydrazide

N'-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrazine-2-carbohydrazide (PubChem CID 24622020) has the molecular formula C13H13N5O5S and a molecular weight of 351.34 g/mol. Its IUPAC name is N'-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrazine-2-carbohydrazide
PubChem CID24622020
Molecular FormulaC13H13N5O5S
Molecular Weight351.34 g/mol
Exact Mass351.06
IUPAC NameN'-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrazine-2-carbohydrazide
SMILESCc1cc([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)c2cnccn2)c1C
InChIInChI=1S/C13H13N5O5S/c1-8-5-10(18(20)21)6-12(9(8)2)24(22,23)17-16-13(19)11-7-14-3-4-15-11/h3-7,17H,1-2H3,(H,16,19)
InChIKeyKZZZYKIIDOUQQE-UHFFFAOYSA-N
XLogP0.62
TPSA144.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrazine-2-carbohydrazide?
The IUPAC name of N'-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrazine-2-carbohydrazide (CID 24622020) is N'-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrazine-2-carbohydrazide.
What is the SMILES notation for N'-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrazine-2-carbohydrazide?
The canonical SMILES for N'-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrazine-2-carbohydrazide is Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)c2cnccn2)c1C.
What is the InChIKey of N'-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrazine-2-carbohydrazide?
The InChIKey is KZZZYKIIDOUQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O5S/c1-8-5-10(18(20)21)6-12(9(8)2)24(22,23)17-16-13(19)11-7-14-3-4-15-11/h3-7,17H,1-2H3,(H,16,19).
What are the key properties of N'-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrazine-2-carbohydrazide?
N'-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrazine-2-carbohydrazide has a molecular weight of 351.34 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrazine-2-carbohydrazide is sourced from PubChem (CID 24622020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).