3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide

C17H16N2O4S — CID 795443

IUPAC3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1OC
InChIInChI=1S/C17H16N2O4S/c1-22-16-8-7-14(10-17(16)23-2)24(20,21)19-13-9-12-5-3-4-6-15(12)18-11-13/h3-11,19H,1-2H3
InChIKeyWEYRMGPIWPNMSQ-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.05
Rot. Bonds5

About 3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide

3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide (PubChem CID 795443) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
PubChem CID795443
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1OC
InChIInChI=1S/C17H16N2O4S/c1-22-16-8-7-14(10-17(16)23-2)24(20,21)19-13-9-12-5-3-4-6-15(12)18-11-13/h3-11,19H,1-2H3
InChIKeyWEYRMGPIWPNMSQ-UHFFFAOYSA-N
XLogP3.05
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-3-methyl-N-quinolin-3-ylbenzenesulfonamide
CID 66485862
ethane;N-quinolin-3-ylbenzenesulfonamide
CID 90950237
4-iodo-3-methyl-N-quinolin-3-ylbenzenesulfonamide
CID 66485889
3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide
CID 110406353
4-propan-2-yloxy-N-quinolin-3-ylbenzenesulfonamide
CID 110730295
3,4-dimethoxy-N-(2-phenoxypyrimidin-5-yl)benzenesulfonamide
CID 122302279
3,4-dimethoxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
CID 39344439
N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
CID 113031264
5-(furan-3-yl)-2-methoxy-N-quinolin-3-ylbenzenesulfonamide
CID 56684216
2,3,4,5,6-pentamethyl-N-quinolin-3-ylbenzenesulfonamide
CID 3863946
N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide
CID 39854064
N-cyclohexyl-4-methoxy-3-(quinolin-3-ylsulfamoyl)benzamide
CID 56684157

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide (CID 795443) is 3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide?
The InChIKey is WEYRMGPIWPNMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-22-16-8-7-14(10-17(16)23-2)24(20,21)19-13-9-12-5-3-4-6-15(12)18-11-13/h3-11,19H,1-2H3.
What are the key properties of 3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide?
3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide has a molecular weight of 344.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide is sourced from PubChem (CID 795443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).