4-methyl-N-(1-quinolin-2-ylpropan-2-yl)benzenesulfonamide

C19H20N2O2S — CID 129271456

IUPAC4-methyl-N-(1-quinolin-2-ylpropan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)Cc2ccc3ccccc3n2)cc1
InChIInChI=1S/C19H20N2O2S/c1-14-7-11-18(12-8-14)24(22,23)21-15(2)13-17-10-9-16-5-3-4-6-19(16)20-17/h3-12,15,21H,13H2,1-2H3
InChIKeyXGDARNKMNSZFQW-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.45
Rot. Bonds5

About 4-methyl-N-(1-quinolin-2-ylpropan-2-yl)benzenesulfonamide

4-methyl-N-(1-quinolin-2-ylpropan-2-yl)benzenesulfonamide (PubChem CID 129271456) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-methyl-N-(1-quinolin-2-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-quinolin-2-ylpropan-2-yl)benzenesulfonamide
PubChem CID129271456
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name4-methyl-N-(1-quinolin-2-ylpropan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)Cc2ccc3ccccc3n2)cc1
InChIInChI=1S/C19H20N2O2S/c1-14-7-11-18(12-8-14)24(22,23)21-15(2)13-17-10-9-16-5-3-4-6-19(16)20-17/h3-12,15,21H,13H2,1-2H3
InChIKeyXGDARNKMNSZFQW-UHFFFAOYSA-N
XLogP3.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[3-(quinolin-2-ylmethylamino)propyl]benzenesulfonamide
CID 131931964
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
2-[2-(4-methylphenyl)-3-quinolin-2-ylpropyl]quinoline
CID 132563536
4-methyl-N-[(2S)-1,1,1-trideuterio-3-phenylpropan-2-yl]benzenesulfonamide
CID 71752636
2-[2-bromo-2-(4-methylphenyl)ethyl]quinoline
CID 66459842
4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
CID 22711650
4-methyl-N-[(2S)-1-[[6-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propyl]sulfanylmethyl]-2-pyridinyl]methylsulfanyl]propan-2-yl]benzenesulfonamide
CID 132839162
4-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide
CID 110869626
4-methyl-2-(methylamino)-1-quinolin-2-ylpentan-3-one
CID 71153530
7-methyl-2-(quinolin-2-ylmethyl)quinoline
CID 146200056
tert-butyl 3-methyl-2-[[4-[4-(quinolin-2-ylmethoxy)phenyl]phenyl]sulfonylamino]butanoate
CID 67110207
4-methyl-N-[(2S)-pent-4-yn-2-yl]benzenesulfonamide
CID 86604885

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-quinolin-2-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1-quinolin-2-ylpropan-2-yl)benzenesulfonamide (CID 129271456) is 4-methyl-N-(1-quinolin-2-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1-quinolin-2-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1-quinolin-2-ylpropan-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)Cc2ccc3ccccc3n2)cc1.
What is the InChIKey of 4-methyl-N-(1-quinolin-2-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is XGDARNKMNSZFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-14-7-11-18(12-8-14)24(22,23)21-15(2)13-17-10-9-16-5-3-4-6-19(16)20-17/h3-12,15,21H,13H2,1-2H3.
What are the key properties of 4-methyl-N-(1-quinolin-2-ylpropan-2-yl)benzenesulfonamide?
4-methyl-N-(1-quinolin-2-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-quinolin-2-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 129271456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).