N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide

C21H24N2O2S — CID 19683991

IUPACN-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide
SMILESCC(C)c1cccc(C(C)C)c1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C21H24N2O2S/c1-14(2)17-10-6-11-18(15(3)4)21(17)23-26(24,25)19-12-5-8-16-9-7-13-22-20(16)19/h5-15,23H,1-4H3
InChIKeyKBCHPYBCOGADOI-UHFFFAOYSA-N
MW368.50 g/mol
LogP5.28
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide

N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide (PubChem CID 19683991) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide
PubChem CID19683991
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide
SMILESCC(C)c1cccc(C(C)C)c1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C21H24N2O2S/c1-14(2)17-10-6-11-18(15(3)4)21(17)23-26(24,25)19-12-5-8-16-9-7-13-22-20(16)19/h5-15,23H,1-4H3
InChIKeyKBCHPYBCOGADOI-UHFFFAOYSA-N
XLogP5.28
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide
CID 5095146
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide
CID 5218600
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
N-(2,4-dimethylphenyl)quinoline-8-sulfonamide
CID 4067742
N-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide
CID 95781119
N-(4-formylphenyl)quinoline-8-sulfonamide
CID 121290762
N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide
CID 3338850
N-(4-tert-butyl-1,3-thiazol-2-yl)quinoline-8-sulfonamide
CID 35538530
N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide
CID 97238593

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide (CID 19683991) is N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide is CC(C)c1cccc(C(C)C)c1NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide?
The InChIKey is KBCHPYBCOGADOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-14(2)17-10-6-11-18(15(3)4)21(17)23-26(24,25)19-12-5-8-16-9-7-13-22-20(16)19/h5-15,23H,1-4H3.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide?
N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide has a molecular weight of 368.50 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 19683991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).