N-(3,6-dimethylquinolin-8-yl)benzenesulfonamide

C17H16N2O2S — CID 169225091

IUPACN-(3,6-dimethylquinolin-8-yl)benzenesulfonamide
SMILESCc1cnc2c(NS(=O)(=O)c3ccccc3)cc(C)cc2c1
InChIInChI=1S/C17H16N2O2S/c1-12-8-14-9-13(2)11-18-17(14)16(10-12)19-22(20,21)15-6-4-3-5-7-15/h3-11,19H,1-2H3
InChIKeyDFSXUKIVLMHOLJ-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.65
Rot. Bonds3

About N-(3,6-dimethylquinolin-8-yl)benzenesulfonamide

N-(3,6-dimethylquinolin-8-yl)benzenesulfonamide (PubChem CID 169225091) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(3,6-dimethylquinolin-8-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,6-dimethylquinolin-8-yl)benzenesulfonamide
PubChem CID169225091
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(3,6-dimethylquinolin-8-yl)benzenesulfonamide
SMILESCc1cnc2c(NS(=O)(=O)c3ccccc3)cc(C)cc2c1
InChIInChI=1S/C17H16N2O2S/c1-12-8-14-9-13(2)11-18-17(14)16(10-12)19-22(20,21)15-6-4-3-5-7-15/h3-11,19H,1-2H3
InChIKeyDFSXUKIVLMHOLJ-UHFFFAOYSA-N
XLogP3.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-methoxyquinolin-8-yl)benzenesulfonamide
CID 821430
4-methoxy-3-methyl-N-(6-methylquinolin-8-yl)benzenesulfonamide
CID 110715588
3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide
CID 102976125
N-(6-methylquinolin-8-yl)methanesulfonamide
CID 110715581
N-(2-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 102976117
N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide
CID 60640316
N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046311
N-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide
CID 102976182
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 3385972
N-(6-methylquinolin-8-yl)-2-phenylethanesulfonamide
CID 110715599
N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046482

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethylquinolin-8-yl)benzenesulfonamide?
The IUPAC name of N-(3,6-dimethylquinolin-8-yl)benzenesulfonamide (CID 169225091) is N-(3,6-dimethylquinolin-8-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,6-dimethylquinolin-8-yl)benzenesulfonamide?
The canonical SMILES for N-(3,6-dimethylquinolin-8-yl)benzenesulfonamide is Cc1cnc2c(NS(=O)(=O)c3ccccc3)cc(C)cc2c1.
What is the InChIKey of N-(3,6-dimethylquinolin-8-yl)benzenesulfonamide?
The InChIKey is DFSXUKIVLMHOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-12-8-14-9-13(2)11-18-17(14)16(10-12)19-22(20,21)15-6-4-3-5-7-15/h3-11,19H,1-2H3.
What are the key properties of N-(3,6-dimethylquinolin-8-yl)benzenesulfonamide?
N-(3,6-dimethylquinolin-8-yl)benzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethylquinolin-8-yl)benzenesulfonamide is sourced from PubChem (CID 169225091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).