2,6-dimethyl-4-nitrobenzenesulfonohydrazide

C8H11N3O4S — CID 70663598

IUPAC2,6-dimethyl-4-nitrobenzenesulfonohydrazide
SMILESCc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NN
InChIInChI=1S/C8H11N3O4S/c1-5-3-7(11(12)13)4-6(2)8(5)16(14,15)10-9/h3-4,10H,9H2,1-2H3
InChIKeyRESUEQBJCNMHOG-UHFFFAOYSA-N
MW245.26 g/mol
LogP0.36
Rot. Bonds3

About 2,6-dimethyl-4-nitrobenzenesulfonohydrazide

2,6-dimethyl-4-nitrobenzenesulfonohydrazide (PubChem CID 70663598) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2,6-dimethyl-4-nitrobenzenesulfonohydrazide.

Molecular Properties

Compound Name2,6-dimethyl-4-nitrobenzenesulfonohydrazide
PubChem CID70663598
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC Name2,6-dimethyl-4-nitrobenzenesulfonohydrazide
SMILESCc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NN
InChIInChI=1S/C8H11N3O4S/c1-5-3-7(11(12)13)4-6(2)8(5)16(14,15)10-9/h3-4,10H,9H2,1-2H3
InChIKeyRESUEQBJCNMHOG-UHFFFAOYSA-N
XLogP0.36
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-methyl-4-nitrobenzenesulfonamide
CID 142791442
2,6-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960405
N-[2-(4-aminophenyl)ethyl]-2,6-dimethyl-4-nitrobenzenesulfonamide;hydrochloride
CID 120715717
N,2,3-trimethyl-5-nitrobenzenesulfonamide
CID 26527022
N-(2,6-dimethyl-4-nitrophenyl)methanesulfonamide
CID 2972028
2-bromo-6-methyl-4-nitrobenzenesulfonyl chloride
CID 131469701
N-tert-butyl-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 17410019
2,6-dimethyl-4-nitrophenolate
CID 6993803
2,6-dimethyl-N-(4-methylpiperidin-3-yl)-4-nitrobenzenesulfonamide
CID 120723093
2-cyano-6-methyl-4-nitrobenzenesulfonyl chloride
CID 131531177
2-amino-3-methyl-5-nitrobenzenesulfonic acid
CID 20545453
N,2-dimethyl-4-nitrobenzenesulfonamide
CID 37477651

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-nitrobenzenesulfonohydrazide?
The IUPAC name of 2,6-dimethyl-4-nitrobenzenesulfonohydrazide (CID 70663598) is 2,6-dimethyl-4-nitrobenzenesulfonohydrazide.
What is the SMILES notation for 2,6-dimethyl-4-nitrobenzenesulfonohydrazide?
The canonical SMILES for 2,6-dimethyl-4-nitrobenzenesulfonohydrazide is Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NN.
What is the InChIKey of 2,6-dimethyl-4-nitrobenzenesulfonohydrazide?
The InChIKey is RESUEQBJCNMHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4S/c1-5-3-7(11(12)13)4-6(2)8(5)16(14,15)10-9/h3-4,10H,9H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-nitrobenzenesulfonohydrazide?
2,6-dimethyl-4-nitrobenzenesulfonohydrazide has a molecular weight of 245.26 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-nitrobenzenesulfonohydrazide is sourced from PubChem (CID 70663598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).