N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide

C19H20N2O2S — CID 5095146

IUPACN-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(C)C
InChIInChI=1S/C19H20N2O2S/c1-13(2)17-10-9-16(12-14(17)3)21-24(22,23)18-8-4-6-15-7-5-11-20-19(15)18/h4-13,21H,1-3H3
InChIKeyBRJIFGOUURVKSU-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.47
Rot. Bonds4

About N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide

N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide (PubChem CID 5095146) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide
PubChem CID5095146
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(C)C
InChIInChI=1S/C19H20N2O2S/c1-13(2)17-10-9-16(12-14(17)3)21-24(22,23)18-8-4-6-15-7-5-11-20-19(15)18/h4-13,21H,1-3H3
InChIKeyBRJIFGOUURVKSU-UHFFFAOYSA-N
XLogP4.47
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide
CID 19683991
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
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
2-ethoxy-4-methyl-5-propan-2-yl-N-quinolin-8-ylbenzenesulfonamide
CID 136574217
N-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide
CID 3338850
2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid
CID 118468092
N-(2-ethyl-6-methylphenyl)quinoline-8-sulfonamide
CID 5218600
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide?
The IUPAC name of N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide (CID 5095146) is N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide is Cc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(C)C.
What is the InChIKey of N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide?
The InChIKey is BRJIFGOUURVKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-13(2)17-10-9-16(12-14(17)3)21-24(22,23)18-8-4-6-15-7-5-11-20-19(15)18/h4-13,21H,1-3H3.
What are the key properties of N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide?
N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide has a molecular weight of 340.45 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide is sourced from PubChem (CID 5095146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).