3-methyl-N-[2-(6-methylquinolin-2-yl)phenyl]benzenesulfonamide

C23H20N2O2S — CID 46376242

IUPAC3-methyl-N-[2-(6-methylquinolin-2-yl)phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccccc2-c2ccc3cc(C)ccc3n2)c1
InChIInChI=1S/C23H20N2O2S/c1-16-6-5-7-19(15-16)28(26,27)25-23-9-4-3-8-20(23)22-13-11-18-14-17(2)10-12-21(18)24-22/h3-15,25H,1-2H3
InChIKeyROLCKCMMLYAPJD-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.32
Rot. Bonds4

About 3-methyl-N-[2-(6-methylquinolin-2-yl)phenyl]benzenesulfonamide

3-methyl-N-[2-(6-methylquinolin-2-yl)phenyl]benzenesulfonamide (PubChem CID 46376242) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-methyl-N-[2-(6-methylquinolin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-(6-methylquinolin-2-yl)phenyl]benzenesulfonamide
PubChem CID46376242
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name3-methyl-N-[2-(6-methylquinolin-2-yl)phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccccc2-c2ccc3cc(C)ccc3n2)c1
InChIInChI=1S/C23H20N2O2S/c1-16-6-5-7-19(15-16)28(26,27)25-23-9-4-3-8-20(23)22-13-11-18-14-17(2)10-12-21(18)24-22/h3-15,25H,1-2H3
InChIKeyROLCKCMMLYAPJD-UHFFFAOYSA-N
XLogP5.32
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 3384228
3-methyl-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 55901351
N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 47104358
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
2-(2-fluorophenyl)-6-methylquinoline
CID 58774468
2-[(3-methylphenyl)sulfonylamino]benzenesulfonamide
CID 57266876
N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide
CID 25036710
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-(2-acetylphenyl)-3-methylbenzenesulfonamide
CID 24694730
3-methyl-N-[3-[(4-methylphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 1392277
2-(benzenesulfonyl)-6-methylquinoline
CID 146164506

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(6-methylquinolin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[2-(6-methylquinolin-2-yl)phenyl]benzenesulfonamide (CID 46376242) is 3-methyl-N-[2-(6-methylquinolin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[2-(6-methylquinolin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[2-(6-methylquinolin-2-yl)phenyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccccc2-c2ccc3cc(C)ccc3n2)c1.
What is the InChIKey of 3-methyl-N-[2-(6-methylquinolin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is ROLCKCMMLYAPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-16-6-5-7-19(15-16)28(26,27)25-23-9-4-3-8-20(23)22-13-11-18-14-17(2)10-12-21(18)24-22/h3-15,25H,1-2H3.
What are the key properties of 3-methyl-N-[2-(6-methylquinolin-2-yl)phenyl]benzenesulfonamide?
3-methyl-N-[2-(6-methylquinolin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(6-methylquinolin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 46376242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).