8-chloro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]quinoline-5-sulfonamide

C19H20ClN3O3S — CID 139744416

IUPAC8-chloro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]quinoline-5-sulfonamide
SMILESO=S(=O)(NCCNCC(O)c1ccccc1)c1ccc(Cl)c2ncccc12
InChIInChI=1S/C19H20ClN3O3S/c20-16-8-9-18(15-7-4-10-22-19(15)16)27(25,26)23-12-11-21-13-17(24)14-5-2-1-3-6-14/h1-10,17,21,23-24H,11-13H2
InChIKeyMJFKJHADNUTGOO-UHFFFAOYSA-N
MW405.91 g/mol
LogP2.49
Rot. Bonds8

About 8-chloro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]quinoline-5-sulfonamide

8-chloro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]quinoline-5-sulfonamide (PubChem CID 139744416) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is 8-chloro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-chloro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]quinoline-5-sulfonamide
PubChem CID139744416
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC Name8-chloro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]quinoline-5-sulfonamide
SMILESO=S(=O)(NCCNCC(O)c1ccccc1)c1ccc(Cl)c2ncccc12
InChIInChI=1S/C19H20ClN3O3S/c20-16-8-9-18(15-7-4-10-22-19(15)16)27(25,26)23-12-11-21-13-17(24)14-5-2-1-3-6-14/h1-10,17,21,23-24H,11-13H2
InChIKeyMJFKJHADNUTGOO-UHFFFAOYSA-N
XLogP2.49
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-chloro-N-(2-pyridin-3-ylethyl)quinoline-5-sulfonamide
CID 78893886
8-chloro-N-(2-piperazin-1-ylethyl)quinoline-5-sulfonamide
CID 54156973
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-nitrobenzenesulfonamide
CID 21426690
8-chloro-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]quinoline-5-sulfonamide
CID 97013728
8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982
2-cyano-N-(2-hydroxy-2-phenylethyl)pyridine-3-sulfonamide
CID 106546169
methyl (3S)-3-[(8-chloroquinolin-5-yl)sulfonylamino]-3-cyclopropylpropanoate
CID 96535954
8-methyl-N-(2-pyridin-2-ylethyl)quinoline-5-sulfonamide
CID 134034355
2-[(5-aminoquinolin-8-yl)amino]-1-phenylethanol
CID 43498854
N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride
CID 84591258
4-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)quinoline-8-sulfonamide
CID 166326565
1-phenyl-2-(quinolin-8-ylmethylamino)ethanol
CID 43394632

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]quinoline-5-sulfonamide?
The IUPAC name of 8-chloro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]quinoline-5-sulfonamide (CID 139744416) is 8-chloro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]quinoline-5-sulfonamide.
What is the SMILES notation for 8-chloro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]quinoline-5-sulfonamide?
The canonical SMILES for 8-chloro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]quinoline-5-sulfonamide is O=S(=O)(NCCNCC(O)c1ccccc1)c1ccc(Cl)c2ncccc12.
What is the InChIKey of 8-chloro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]quinoline-5-sulfonamide?
The InChIKey is MJFKJHADNUTGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c20-16-8-9-18(15-7-4-10-22-19(15)16)27(25,26)23-12-11-21-13-17(24)14-5-2-1-3-6-14/h1-10,17,21,23-24H,11-13H2.
What are the key properties of 8-chloro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]quinoline-5-sulfonamide?
8-chloro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]quinoline-5-sulfonamide has a molecular weight of 405.91 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]quinoline-5-sulfonamide is sourced from PubChem (CID 139744416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).