3-[2-(dimethylamino)ethyl]-4-quinolin-6-yloxybenzenesulfonamide

C19H21N3O3S — CID 91265746

IUPAC3-[2-(dimethylamino)ethyl]-4-quinolin-6-yloxybenzenesulfonamide
SMILESCN(C)CCc1cc(S(N)(=O)=O)ccc1Oc1ccc2ncccc2c1
InChIInChI=1S/C19H21N3O3S/c1-22(2)11-9-15-13-17(26(20,23)24)6-8-19(15)25-16-5-7-18-14(12-16)4-3-10-21-18/h3-8,10,12-13H,9,11H2,1-2H3,(H2,20,23,24)
InChIKeyORGOYGYJYHYANM-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.78
Rot. Bonds6

About 3-[2-(dimethylamino)ethyl]-4-quinolin-6-yloxybenzenesulfonamide

3-[2-(dimethylamino)ethyl]-4-quinolin-6-yloxybenzenesulfonamide (PubChem CID 91265746) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-4-quinolin-6-yloxybenzenesulfonamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-4-quinolin-6-yloxybenzenesulfonamide
PubChem CID91265746
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name3-[2-(dimethylamino)ethyl]-4-quinolin-6-yloxybenzenesulfonamide
SMILESCN(C)CCc1cc(S(N)(=O)=O)ccc1Oc1ccc2ncccc2c1
InChIInChI=1S/C19H21N3O3S/c1-22(2)11-9-15-13-17(26(20,23)24)6-8-19(15)25-16-5-7-18-14(12-16)4-3-10-21-18/h3-8,10,12-13H,9,11H2,1-2H3,(H2,20,23,24)
InChIKeyORGOYGYJYHYANM-UHFFFAOYSA-N
XLogP2.78
TPSA85.52 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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(dimethylamino)ethyl]-4-quinolin-6-yloxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(dimethylamino)methyl]-N-methyl-4-quinolin-6-yloxybenzenesulfonamide
CID 23001827
quinoline-6-sulfonamide
CID 23273907
3-[(dimethylamino)methyl]-4-(4-phenoxyphenoxy)benzenesulfonamide
CID 59143873
quinolin-6-yl methanesulfonate
CID 157288502
(3-methylsulfonyl-4-quinolin-6-yloxyphenyl)methyl N-(diaminomethylidene)carbamate;hydrochloride
CID 19360561
3-chloro-4-quinolin-6-yloxyaniline
CID 13490789
4-chloro-N-(3-chloro-4-quinolin-6-yloxyphenyl)benzenesulfonamide
CID 67931068
3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzenesulfonamide
CID 154573621
6-[(2-methylpropan-2-yl)oxy]quinoline
CID 59854598
N-[2-(dimethylamino)ethyl]-N-methyl-1-quinolin-6-ylethane-1,2-diamine
CID 63969950
ethane;6-methylsulfonylquinoline
CID 156875641
6-phosphorosooxyquinoline
CID 21130862

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-4-quinolin-6-yloxybenzenesulfonamide?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-4-quinolin-6-yloxybenzenesulfonamide (CID 91265746) is 3-[2-(dimethylamino)ethyl]-4-quinolin-6-yloxybenzenesulfonamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-4-quinolin-6-yloxybenzenesulfonamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-4-quinolin-6-yloxybenzenesulfonamide is CN(C)CCc1cc(S(N)(=O)=O)ccc1Oc1ccc2ncccc2c1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-4-quinolin-6-yloxybenzenesulfonamide?
The InChIKey is ORGOYGYJYHYANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-22(2)11-9-15-13-17(26(20,23)24)6-8-19(15)25-16-5-7-18-14(12-16)4-3-10-21-18/h3-8,10,12-13H,9,11H2,1-2H3,(H2,20,23,24).
What are the key properties of 3-[2-(dimethylamino)ethyl]-4-quinolin-6-yloxybenzenesulfonamide?
3-[2-(dimethylamino)ethyl]-4-quinolin-6-yloxybenzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-4-quinolin-6-yloxybenzenesulfonamide is sourced from PubChem (CID 91265746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).