3-[(1S)-1-[(8-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide

C18H19N3O2S — CID 97072580

IUPAC3-[(1S)-1-[(8-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide
SMILESCc1cccc2c(N[C@@H](C)c3cccc(S(N)(=O)=O)c3)ccnc12
InChIInChI=1S/C18H19N3O2S/c1-12-5-3-8-16-17(9-10-20-18(12)16)21-13(2)14-6-4-7-15(11-14)24(19,22)23/h3-11,13H,1-2H3,(H,20,21)(H2,19,22,23)/t13-/m0/s1
InChIKeyHAMMFNAKDINNJN-ZDUSSCGKSA-N
MW341.44 g/mol
LogP3.36
Rot. Bonds4

About 3-[(1S)-1-[(8-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide

3-[(1S)-1-[(8-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide (PubChem CID 97072580) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-[(1S)-1-[(8-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[(1S)-1-[(8-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide
PubChem CID97072580
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name3-[(1S)-1-[(8-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide
SMILESCc1cccc2c(N[C@@H](C)c3cccc(S(N)(=O)=O)c3)ccnc12
InChIInChI=1S/C18H19N3O2S/c1-12-5-3-8-16-17(9-10-20-18(12)16)21-13(2)14-6-4-7-15(11-14)24(19,22)23/h3-11,13H,1-2H3,(H,20,21)(H2,19,22,23)/t13-/m0/s1
InChIKeyHAMMFNAKDINNJN-ZDUSSCGKSA-N
XLogP3.36
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(3,4-dimethylanilino)ethyl]benzenesulfonamide
CID 43761911
3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
CID 104955799
3-[1-[(4-chloro-3-pyridinyl)amino]ethyl]benzenesulfonamide
CID 83167376
3-[1-(2-chloro-5-methylanilino)ethyl]benzenesulfonamide
CID 103936671
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
3-[1-(3-ethynylanilino)ethyl]benzenesulfonamide
CID 43755444
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide
CID 43773070
3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide
CID 43777275
3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 71978290
3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 81351259
3-[1-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 71862589

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[(8-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[(1S)-1-[(8-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide (CID 97072580) is 3-[(1S)-1-[(8-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[(1S)-1-[(8-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[(1S)-1-[(8-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide is Cc1cccc2c(N[C@@H](C)c3cccc(S(N)(=O)=O)c3)ccnc12.
What is the InChIKey of 3-[(1S)-1-[(8-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is HAMMFNAKDINNJN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-5-3-8-16-17(9-10-20-18(12)16)21-13(2)14-6-4-7-15(11-14)24(19,22)23/h3-11,13H,1-2H3,(H,20,21)(H2,19,22,23)/t13-/m0/s1.
What are the key properties of 3-[(1S)-1-[(8-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide?
3-[(1S)-1-[(8-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 341.44 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[(8-methylquinolin-4-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 97072580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).