4-methyl-N-(4-propylquinolin-3-yl)benzenesulfonamide

C19H20N2O2S — CID 164678226

IUPAC4-methyl-N-(4-propylquinolin-3-yl)benzenesulfonamide
SMILESCCCc1c(NS(=O)(=O)c2ccc(C)cc2)cnc2ccccc12
InChIInChI=1S/C19H20N2O2S/c1-3-6-16-17-7-4-5-8-18(17)20-13-19(16)21-24(22,23)15-11-9-14(2)10-12-15/h4-5,7-13,21H,3,6H2,1-2H3
InChIKeyQMUOFBRPEJMYQN-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.30
Rot. Bonds5

About 4-methyl-N-(4-propylquinolin-3-yl)benzenesulfonamide

4-methyl-N-(4-propylquinolin-3-yl)benzenesulfonamide (PubChem CID 164678226) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-methyl-N-(4-propylquinolin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-propylquinolin-3-yl)benzenesulfonamide
PubChem CID164678226
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name4-methyl-N-(4-propylquinolin-3-yl)benzenesulfonamide
SMILESCCCc1c(NS(=O)(=O)c2ccc(C)cc2)cnc2ccccc12
InChIInChI=1S/C19H20N2O2S/c1-3-6-16-17-7-4-5-8-18(17)20-13-19(16)21-24(22,23)15-11-9-14(2)10-12-15/h4-5,7-13,21H,3,6H2,1-2H3
InChIKeyQMUOFBRPEJMYQN-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(4-methylquinolin-3-yl)benzenesulfonamide
CID 122398578
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
4-methyl-N-(2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-yl)benzenesulfonamide
CID 71551048
4-butyl-N-quinolin-5-ylbenzenesulfonamide
CID 3337546
4-methyl-N-(5-oxidobenzo[c]cinnolin-5-ium-4-yl)benzenesulfonamide
CID 118455435
N-(1-isoquinolin-1-ylnaphthalen-2-yl)-4-methylbenzenesulfonamide
CID 72724173
4-ethyl-N-quinolin-5-ylbenzenesulfonamide
CID 3753530
4-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide
CID 110869626
4-butyl-3-methylquinoline
CID 153439340
4-methyl-N-[3-(pentylamino)quinoxalin-2-yl]benzenesulfonamide
CID 3340734
4-pentyl-3-pentylsulfonylquinoline
CID 68571219
N-(4-amino-3-methylquinolin-2-yl)-4-methylbenzenesulfonamide
CID 141482671

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-propylquinolin-3-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-propylquinolin-3-yl)benzenesulfonamide (CID 164678226) is 4-methyl-N-(4-propylquinolin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-propylquinolin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-propylquinolin-3-yl)benzenesulfonamide is CCCc1c(NS(=O)(=O)c2ccc(C)cc2)cnc2ccccc12.
What is the InChIKey of 4-methyl-N-(4-propylquinolin-3-yl)benzenesulfonamide?
The InChIKey is QMUOFBRPEJMYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-3-6-16-17-7-4-5-8-18(17)20-13-19(16)21-24(22,23)15-11-9-14(2)10-12-15/h4-5,7-13,21H,3,6H2,1-2H3.
What are the key properties of 4-methyl-N-(4-propylquinolin-3-yl)benzenesulfonamide?
4-methyl-N-(4-propylquinolin-3-yl)benzenesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-propylquinolin-3-yl)benzenesulfonamide is sourced from PubChem (CID 164678226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).