2-methyl-N-(2-methylquinolin-8-yl)-5-nitrobenzenesulfonamide

C17H15N3O4S — CID 16759952

IUPAC2-methyl-N-(2-methylquinolin-8-yl)-5-nitrobenzenesulfonamide
SMILESCc1ccc2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2n1
InChIInChI=1S/C17H15N3O4S/c1-11-6-9-14(20(21)22)10-16(11)25(23,24)19-15-5-3-4-13-8-7-12(2)18-17(13)15/h3-10,19H,1-2H3
InChIKeyGANMCBAUYLIAOL-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.56
Rot. Bonds4

About 2-methyl-N-(2-methylquinolin-8-yl)-5-nitrobenzenesulfonamide

2-methyl-N-(2-methylquinolin-8-yl)-5-nitrobenzenesulfonamide (PubChem CID 16759952) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-methyl-N-(2-methylquinolin-8-yl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylquinolin-8-yl)-5-nitrobenzenesulfonamide
PubChem CID16759952
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name2-methyl-N-(2-methylquinolin-8-yl)-5-nitrobenzenesulfonamide
SMILESCc1ccc2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2n1
InChIInChI=1S/C17H15N3O4S/c1-11-6-9-14(20(21)22)10-16(11)25(23,24)19-15-5-3-4-13-8-7-12(2)18-17(13)15/h3-10,19H,1-2H3
InChIKeyGANMCBAUYLIAOL-UHFFFAOYSA-N
XLogP3.56
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

N-(2-methyl-5-nitrophenyl)quinoline-8-sulfonamide
CID 4307070
2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide
CID 2961153
4-methoxy-N-(2-methylquinolin-8-yl)-2-nitrobenzenesulfonamide
CID 23631949
N-(2-aminophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 43605579
N-(2-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7107842
N-(2-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2944627
N-(2,5-dimethylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7573611
N-(2-methylquinolin-8-yl)methanesulfonamide
CID 46887816
2-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734195
4-fluoro-3-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734172
1,1-dimethyl-3-[2-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]urea
CID 55811259
N-(4-chloro-2-methylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 21368314

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylquinolin-8-yl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-methyl-N-(2-methylquinolin-8-yl)-5-nitrobenzenesulfonamide (CID 16759952) is 2-methyl-N-(2-methylquinolin-8-yl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(2-methylquinolin-8-yl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-methyl-N-(2-methylquinolin-8-yl)-5-nitrobenzenesulfonamide is Cc1ccc2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2n1.
What is the InChIKey of 2-methyl-N-(2-methylquinolin-8-yl)-5-nitrobenzenesulfonamide?
The InChIKey is GANMCBAUYLIAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-11-6-9-14(20(21)22)10-16(11)25(23,24)19-15-5-3-4-13-8-7-12(2)18-17(13)15/h3-10,19H,1-2H3.
What are the key properties of 2-methyl-N-(2-methylquinolin-8-yl)-5-nitrobenzenesulfonamide?
2-methyl-N-(2-methylquinolin-8-yl)-5-nitrobenzenesulfonamide has a molecular weight of 357.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylquinolin-8-yl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 16759952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).