4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide

C17H15ClN2O3S — CID 30206083

IUPAC4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCOc1cccc2cccnc12)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O3S/c18-14-6-8-15(9-7-14)24(21,22)20-11-12-23-16-5-1-3-13-4-2-10-19-17(13)16/h1-10,20H,11-12H2
InChIKeyUGWSBJMXVKCGKI-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.25
Rot. Bonds6

About 4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide

4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide (PubChem CID 30206083) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
PubChem CID30206083
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCOc1cccc2cccnc12)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O3S/c18-14-6-8-15(9-7-14)24(21,22)20-11-12-23-16-5-1-3-13-4-2-10-19-17(13)16/h1-10,20H,11-12H2
InChIKeyUGWSBJMXVKCGKI-UHFFFAOYSA-N
XLogP3.25
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 113102271
4-propan-2-yloxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 113102304
4-(3-chloropropyl)-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541471
N-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
CID 113102285
4-chloro-2-nitro-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541780
3-bromo-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541607
3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541916
ethyl 4-(3-quinolin-8-yloxypropylsulfamoyl)benzoate
CID 56541641
5-chloro-1,3-dimethyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-sulfonamide
CID 167874233
1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975973
4-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]benzenesulfonamide
CID 113102632
5-chloro-2-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 5303366

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide (CID 30206083) is 4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide is O=S(=O)(NCCOc1cccc2cccnc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide?
The InChIKey is UGWSBJMXVKCGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c18-14-6-8-15(9-7-14)24(21,22)20-11-12-23-16-5-1-3-13-4-2-10-19-17(13)16/h1-10,20H,11-12H2.
What are the key properties of 4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide?
4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide has a molecular weight of 362.84 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 30206083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).