4-[1-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide

C17H16ClN3O2S — CID 17390528

IUPAC4-[1-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide
SMILESCC(Nc1ccnc2cc(Cl)ccc12)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H16ClN3O2S/c1-11(12-2-5-14(6-3-12)24(19,22)23)21-16-8-9-20-17-10-13(18)4-7-15(16)17/h2-11H,1H3,(H,20,21)(H2,19,22,23)
InChIKeyIRUBGWZKUGVIQU-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.71
Rot. Bonds4

About 4-[1-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide

4-[1-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide (PubChem CID 17390528) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is 4-[1-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide
PubChem CID17390528
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC Name4-[1-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide
SMILESCC(Nc1ccnc2cc(Cl)ccc12)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H16ClN3O2S/c1-11(12-2-5-14(6-3-12)24(19,22)23)21-16-8-9-20-17-10-13(18)4-7-15(16)17/h2-11H,1H3,(H,20,21)(H2,19,22,23)
InChIKeyIRUBGWZKUGVIQU-UHFFFAOYSA-N
XLogP3.71
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Chloroquine
CID 2719
Hydroxychloroquine Sulfate
CID 12947
(+-)-Desethylchloroquine
CID 95478
(+-)-Chloroquine diphosphate
CID 83818
Bisdesethylchloroquine
CID 122672
Chloroquine Sulfate
CID 91441
Sontoquine
CID 66553
Ro 41-3118
CID 408190
(-)-Chloroquine
CID 444810
(+)-Chloroquine
CID 639540
N-(7-Chloroquinolin-4-yl)propane-1,3-diamine
CID 245076
Quinoline, 7-chloro-4-((4-(diethylamino)cyclohexyl)amino)-
CID 208605

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide (CID 17390528) is 4-[1-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide is CC(Nc1ccnc2cc(Cl)ccc12)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is IRUBGWZKUGVIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-11(12-2-5-14(6-3-12)24(19,22)23)21-16-8-9-20-17-10-13(18)4-7-15(16)17/h2-11H,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 4-[1-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide?
4-[1-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 361.85 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(7-chloroquinolin-4-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 17390528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).