N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide

C18H18N2O2S — CID 31046311

IUPACN-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc3cc(C)cnc23)c(C)c1
InChIInChI=1S/C18H18N2O2S/c1-12-7-8-16(14(3)9-12)20-23(21,22)17-6-4-5-15-10-13(2)11-19-18(15)17/h4-11,20H,1-3H3
InChIKeyMFWHEDOKKAXQIW-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.96
Rot. Bonds3

About N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide

N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide (PubChem CID 31046311) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide
PubChem CID31046311
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc3cc(C)cnc23)c(C)c1
InChIInChI=1S/C18H18N2O2S/c1-12-7-8-16(14(3)9-12)20-23(21,22)17-6-4-5-15-10-13(2)11-19-18(15)17/h4-11,20H,1-3H3
InChIKeyMFWHEDOKKAXQIW-UHFFFAOYSA-N
XLogP3.96
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046482
N-(2,4-dimethylphenyl)quinoline-8-sulfonamide
CID 4067742
3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide
CID 25333424
N-(2-methoxy-3-pyridinyl)-3-methylquinoline-8-sulfonamide
CID 47038312
N-(3-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046446
N-(5-bromo-2-methoxyphenyl)-3-methylquinoline-8-sulfonamide
CID 60533343
N-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide
CID 31046324
N-(3-iodophenyl)-3-methylquinoline-8-sulfonamide
CID 31690873
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide
CID 31670142
N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide
CID 4197183
4-chloro-N,N-dimethyl-3-[(3-methylquinolin-8-yl)sulfonylamino]benzamide
CID 39833326

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide (CID 31046311) is N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide is Cc1ccc(NS(=O)(=O)c2cccc3cc(C)cnc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide?
The InChIKey is MFWHEDOKKAXQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-12-7-8-16(14(3)9-12)20-23(21,22)17-6-4-5-15-10-13(2)11-19-18(15)17/h4-11,20H,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide?
N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide has a molecular weight of 326.42 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide is sourced from PubChem (CID 31046311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).