4-propan-2-yl-N-(quinolin-4-ylmethyl)benzenesulfonamide

C19H20N2O2S — CID 86042080

IUPAC4-propan-2-yl-N-(quinolin-4-ylmethyl)benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCc2ccnc3ccccc23)cc1
InChIInChI=1S/C19H20N2O2S/c1-14(2)15-7-9-17(10-8-15)24(22,23)21-13-16-11-12-20-19-6-4-3-5-18(16)19/h3-12,14,21H,13H2,1-2H3
InChIKeyWHWIHKROVHRANQ-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.84
Rot. Bonds5

About 4-propan-2-yl-N-(quinolin-4-ylmethyl)benzenesulfonamide

4-propan-2-yl-N-(quinolin-4-ylmethyl)benzenesulfonamide (PubChem CID 86042080) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-propan-2-yl-N-(quinolin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-N-(quinolin-4-ylmethyl)benzenesulfonamide
PubChem CID86042080
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name4-propan-2-yl-N-(quinolin-4-ylmethyl)benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCc2ccnc3ccccc23)cc1
InChIInChI=1S/C19H20N2O2S/c1-14(2)15-7-9-17(10-8-15)24(22,23)21-13-16-11-12-20-19-6-4-3-5-18(16)19/h3-12,14,21H,13H2,1-2H3
InChIKeyWHWIHKROVHRANQ-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(3-methylphenyl)-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 24891714
N,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide
CID 77081152
N-(quinolin-4-ylmethyl)thiophene-2-sulfonamide
CID 110734274
4-butan-2-yl-N-(isoquinolin-1-ylmethyl)benzenesulfonamide
CID 17428017
2,5-dichloro-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 86042045
N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 53022592
4-(3-cyanophenoxy)-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 71144623
1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide
CID 110734278
2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993012
1-(4-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
CID 63850384
2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 110734272
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154484

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(quinolin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-propan-2-yl-N-(quinolin-4-ylmethyl)benzenesulfonamide (CID 86042080) is 4-propan-2-yl-N-(quinolin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yl-N-(quinolin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-propan-2-yl-N-(quinolin-4-ylmethyl)benzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NCc2ccnc3ccccc23)cc1.
What is the InChIKey of 4-propan-2-yl-N-(quinolin-4-ylmethyl)benzenesulfonamide?
The InChIKey is WHWIHKROVHRANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-14(2)15-7-9-17(10-8-15)24(22,23)21-13-16-11-12-20-19-6-4-3-5-18(16)19/h3-12,14,21H,13H2,1-2H3.
What are the key properties of 4-propan-2-yl-N-(quinolin-4-ylmethyl)benzenesulfonamide?
4-propan-2-yl-N-(quinolin-4-ylmethyl)benzenesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(quinolin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 86042080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).