2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)benzenesulfonamide

C17H20N2O2S — CID 110751465

IUPAC2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC1CCN(C)c2ccccc21
InChIInChI=1S/C17H20N2O2S/c1-13-7-3-6-10-17(13)22(20,21)18-15-11-12-19(2)16-9-5-4-8-14(15)16/h3-10,15,18H,11-12H2,1-2H3
InChIKeyZCSHQDZPIQIVDN-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.85
Rot. Bonds3

About 2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)benzenesulfonamide

2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)benzenesulfonamide (PubChem CID 110751465) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)benzenesulfonamide
PubChem CID110751465
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC1CCN(C)c2ccccc21
InChIInChI=1S/C17H20N2O2S/c1-13-7-3-6-10-17(13)22(20,21)18-15-11-12-19(2)16-9-5-4-8-14(15)16/h3-10,15,18H,11-12H2,1-2H3
InChIKeyZCSHQDZPIQIVDN-UHFFFAOYSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)benzenesulfonamide (CID 110751465) is 2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)benzenesulfonamide is Cc1ccccc1S(=O)(=O)NC1CCN(C)c2ccccc21.
What is the InChIKey of 2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)benzenesulfonamide?
The InChIKey is ZCSHQDZPIQIVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-13-7-3-6-10-17(13)22(20,21)18-15-11-12-19(2)16-9-5-4-8-14(15)16/h3-10,15,18H,11-12H2,1-2H3.
What are the key properties of 2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)benzenesulfonamide?
2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)benzenesulfonamide has a molecular weight of 316.43 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)benzenesulfonamide is sourced from PubChem (CID 110751465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).