4-methoxy-N-(2-methylquinolin-8-yl)-2-nitrobenzenesulfonamide

C17H15N3O5S — CID 23631949

IUPAC4-methoxy-N-(2-methylquinolin-8-yl)-2-nitrobenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3ccc(C)nc23)c([N+](=O)[O-])c1
InChIInChI=1S/C17H15N3O5S/c1-11-6-7-12-4-3-5-14(17(12)18-11)19-26(23,24)16-9-8-13(25-2)10-15(16)20(21)22/h3-10,19H,1-2H3
InChIKeyFFFWFVRMWPALDL-UHFFFAOYSA-N
MW373.39 g/mol
LogP3.26
Rot. Bonds5

About 4-methoxy-N-(2-methylquinolin-8-yl)-2-nitrobenzenesulfonamide

4-methoxy-N-(2-methylquinolin-8-yl)-2-nitrobenzenesulfonamide (PubChem CID 23631949) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is 4-methoxy-N-(2-methylquinolin-8-yl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methylquinolin-8-yl)-2-nitrobenzenesulfonamide
PubChem CID23631949
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC Name4-methoxy-N-(2-methylquinolin-8-yl)-2-nitrobenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3ccc(C)nc23)c([N+](=O)[O-])c1
InChIInChI=1S/C17H15N3O5S/c1-11-6-7-12-4-3-5-14(17(12)18-11)19-26(23,24)16-9-8-13(25-2)10-15(16)20(21)22/h3-10,19H,1-2H3
InChIKeyFFFWFVRMWPALDL-UHFFFAOYSA-N
XLogP3.26
TPSA111.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-methoxy-N-(2-methylsulfanylphenyl)-2-nitrobenzenesulfonamide
CID 18148049
2-methyl-N-(2-methylquinolin-8-yl)-5-nitrobenzenesulfonamide
CID 16759952
N-(2,6-difluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148013
N-(3-bromophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18147940
N-(2-ethyl-6-methylphenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18151538
N-(3-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18147954
4-methoxy-2-nitro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 18148007
N-(2,4-dichlorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18147971
N-(4-chloro-2-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148025
4-ethoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734192
4-methoxy-N-(4-methoxy-2-nitrophenyl)benzenesulfonamide
CID 2843218
2-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734195

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methylquinolin-8-yl)-2-nitrobenzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2-methylquinolin-8-yl)-2-nitrobenzenesulfonamide (CID 23631949) is 4-methoxy-N-(2-methylquinolin-8-yl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-methylquinolin-8-yl)-2-nitrobenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2-methylquinolin-8-yl)-2-nitrobenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc3ccc(C)nc23)c([N+](=O)[O-])c1.
What is the InChIKey of 4-methoxy-N-(2-methylquinolin-8-yl)-2-nitrobenzenesulfonamide?
The InChIKey is FFFWFVRMWPALDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-11-6-7-12-4-3-5-14(17(12)18-11)19-26(23,24)16-9-8-13(25-2)10-15(16)20(21)22/h3-10,19H,1-2H3.
What are the key properties of 4-methoxy-N-(2-methylquinolin-8-yl)-2-nitrobenzenesulfonamide?
4-methoxy-N-(2-methylquinolin-8-yl)-2-nitrobenzenesulfonamide has a molecular weight of 373.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methylquinolin-8-yl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 23631949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).