N,N-bis(4-methylphenyl)quinoline-8-sulfonamide

C23H20N2O2S — CID 3737417

IUPACN,N-bis(4-methylphenyl)quinoline-8-sulfonamide
SMILESCc1ccc(N(c2ccc(C)cc2)S(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C23H20N2O2S/c1-17-8-12-20(13-9-17)25(21-14-10-18(2)11-15-21)28(26,27)22-7-3-5-19-6-4-16-24-23(19)22/h3-16H,1-2H3
InChIKeyATVAQLBQYQNHEZ-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.38
Rot. Bonds4

About N,N-bis(4-methylphenyl)quinoline-8-sulfonamide

N,N-bis(4-methylphenyl)quinoline-8-sulfonamide (PubChem CID 3737417) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N,N-bis(4-methylphenyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN,N-bis(4-methylphenyl)quinoline-8-sulfonamide
PubChem CID3737417
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN,N-bis(4-methylphenyl)quinoline-8-sulfonamide
SMILESCc1ccc(N(c2ccc(C)cc2)S(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C23H20N2O2S/c1-17-8-12-20(13-9-17)25(21-14-10-18(2)11-15-21)28(26,27)22-7-3-5-19-6-4-16-24-23(19)22/h3-16H,1-2H3
InChIKeyATVAQLBQYQNHEZ-UHFFFAOYSA-N
XLogP5.38
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-di(butan-2-yl)quinoline-8-sulfonamide
CID 4185398
N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylquinoline-8-sulfonamide
CID 3546856
8-methylsulfanylsulfonylquinoline
CID 913226
N,N-bis(prop-2-enyl)quinoline-8-sulfonamide
CID 3546701
N-(2,4-dimethylphenyl)quinoline-8-sulfonamide
CID 4067742
2-(N-quinolin-8-ylsulfonylanilino)acetic acid
CID 146018152
N-benzyl-N-ethylquinoline-8-sulfonamide
CID 5053863
N-(3,3-dimethylbutyl)-N-propylquinoline-8-sulfonamide
CID 23392955
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride
CID 119991402
N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylbutanamide
CID 7573869
N-(2,2-difluoroethyl)-N-propylquinoline-8-sulfonamide
CID 56791454
N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide
CID 4197183

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methylphenyl)quinoline-8-sulfonamide?
The IUPAC name of N,N-bis(4-methylphenyl)quinoline-8-sulfonamide (CID 3737417) is N,N-bis(4-methylphenyl)quinoline-8-sulfonamide.
What is the SMILES notation for N,N-bis(4-methylphenyl)quinoline-8-sulfonamide?
The canonical SMILES for N,N-bis(4-methylphenyl)quinoline-8-sulfonamide is Cc1ccc(N(c2ccc(C)cc2)S(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of N,N-bis(4-methylphenyl)quinoline-8-sulfonamide?
The InChIKey is ATVAQLBQYQNHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-17-8-12-20(13-9-17)25(21-14-10-18(2)11-15-21)28(26,27)22-7-3-5-19-6-4-16-24-23(19)22/h3-16H,1-2H3.
What are the key properties of N,N-bis(4-methylphenyl)quinoline-8-sulfonamide?
N,N-bis(4-methylphenyl)quinoline-8-sulfonamide has a molecular weight of 388.49 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methylphenyl)quinoline-8-sulfonamide is sourced from PubChem (CID 3737417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).