2-methyl-N'-(1-methylquinolin-1-ium-2-yl)benzenesulfonohydrazide

C17H18N3O2S+ — CID 54243054

IUPAC2-methyl-N'-(1-methylquinolin-1-ium-2-yl)benzenesulfonohydrazide
SMILESCc1ccccc1S(=O)(=O)NNc1ccc2ccccc2[n+]1C
InChIInChI=1S/C17H17N3O2S/c1-13-7-3-6-10-16(13)23(21,22)19-18-17-12-11-14-8-4-5-9-15(14)20(17)2/h3-12,19H,1-2H3/p+1
InChIKeyQRIWJZCASKVWJU-UHFFFAOYSA-O
MW328.42 g/mol
LogP2.28
Rot. Bonds4

About 2-methyl-N'-(1-methylquinolin-1-ium-2-yl)benzenesulfonohydrazide

2-methyl-N'-(1-methylquinolin-1-ium-2-yl)benzenesulfonohydrazide (PubChem CID 54243054) has the molecular formula C17H18N3O2S+ and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-methyl-N'-(1-methylquinolin-1-ium-2-yl)benzenesulfonohydrazide.

Molecular Properties

Compound Name2-methyl-N'-(1-methylquinolin-1-ium-2-yl)benzenesulfonohydrazide
PubChem CID54243054
Molecular FormulaC17H18N3O2S+
Molecular Weight328.42 g/mol
Exact Mass328.11
IUPAC Name2-methyl-N'-(1-methylquinolin-1-ium-2-yl)benzenesulfonohydrazide
SMILESCc1ccccc1S(=O)(=O)NNc1ccc2ccccc2[n+]1C
InChIInChI=1S/C17H17N3O2S/c1-13-7-3-6-10-16(13)23(21,22)19-18-17-12-11-14-8-4-5-9-15(14)20(17)2/h3-12,19H,1-2H3/p+1
InChIKeyQRIWJZCASKVWJU-UHFFFAOYSA-O
XLogP2.28
TPSA62.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(1-methylquinolin-1-ium-2-yl)benzenesulfonohydrazide?
The IUPAC name of 2-methyl-N'-(1-methylquinolin-1-ium-2-yl)benzenesulfonohydrazide (CID 54243054) is 2-methyl-N'-(1-methylquinolin-1-ium-2-yl)benzenesulfonohydrazide.
What is the SMILES notation for 2-methyl-N'-(1-methylquinolin-1-ium-2-yl)benzenesulfonohydrazide?
The canonical SMILES for 2-methyl-N'-(1-methylquinolin-1-ium-2-yl)benzenesulfonohydrazide is Cc1ccccc1S(=O)(=O)NNc1ccc2ccccc2[n+]1C.
What is the InChIKey of 2-methyl-N'-(1-methylquinolin-1-ium-2-yl)benzenesulfonohydrazide?
The InChIKey is QRIWJZCASKVWJU-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H17N3O2S/c1-13-7-3-6-10-16(13)23(21,22)19-18-17-12-11-14-8-4-5-9-15(14)20(17)2/h3-12,19H,1-2H3/p+1.
What are the key properties of 2-methyl-N'-(1-methylquinolin-1-ium-2-yl)benzenesulfonohydrazide?
2-methyl-N'-(1-methylquinolin-1-ium-2-yl)benzenesulfonohydrazide has a molecular weight of 328.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(1-methylquinolin-1-ium-2-yl)benzenesulfonohydrazide is sourced from PubChem (CID 54243054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).