3-[(dimethylamino)methyl]-N-methyl-4-quinolin-6-yloxybenzenesulfonamide

C19H21N3O3S — CID 23001827

IUPAC3-[(dimethylamino)methyl]-N-methyl-4-quinolin-6-yloxybenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2ccc3ncccc3c2)c(CN(C)C)c1
InChIInChI=1S/C19H21N3O3S/c1-20-26(23,24)17-7-9-19(15(12-17)13-22(2)3)25-16-6-8-18-14(11-16)5-4-10-21-18/h4-12,20H,13H2,1-3H3
InChIKeyWDMFKMXLGRBGJT-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.00
Rot. Bonds6

About 3-[(dimethylamino)methyl]-N-methyl-4-quinolin-6-yloxybenzenesulfonamide

3-[(dimethylamino)methyl]-N-methyl-4-quinolin-6-yloxybenzenesulfonamide (PubChem CID 23001827) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-methyl-4-quinolin-6-yloxybenzenesulfonamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-methyl-4-quinolin-6-yloxybenzenesulfonamide
PubChem CID23001827
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name3-[(dimethylamino)methyl]-N-methyl-4-quinolin-6-yloxybenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2ccc3ncccc3c2)c(CN(C)C)c1
InChIInChI=1S/C19H21N3O3S/c1-20-26(23,24)17-7-9-19(15(12-17)13-22(2)3)25-16-6-8-18-14(11-16)5-4-10-21-18/h4-12,20H,13H2,1-3H3
InChIKeyWDMFKMXLGRBGJT-UHFFFAOYSA-N
XLogP3.00
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-methyl-4-quinolin-6-yloxybenzenesulfonamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-methyl-4-quinolin-6-yloxybenzenesulfonamide (CID 23001827) is 3-[(dimethylamino)methyl]-N-methyl-4-quinolin-6-yloxybenzenesulfonamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-methyl-4-quinolin-6-yloxybenzenesulfonamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-methyl-4-quinolin-6-yloxybenzenesulfonamide is CNS(=O)(=O)c1ccc(Oc2ccc3ncccc3c2)c(CN(C)C)c1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-methyl-4-quinolin-6-yloxybenzenesulfonamide?
The InChIKey is WDMFKMXLGRBGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-20-26(23,24)17-7-9-19(15(12-17)13-22(2)3)25-16-6-8-18-14(11-16)5-4-10-21-18/h4-12,20H,13H2,1-3H3.
What are the key properties of 3-[(dimethylamino)methyl]-N-methyl-4-quinolin-6-yloxybenzenesulfonamide?
3-[(dimethylamino)methyl]-N-methyl-4-quinolin-6-yloxybenzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-methyl-4-quinolin-6-yloxybenzenesulfonamide is sourced from PubChem (CID 23001827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).