5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-sulfonamide

C18H17ClN2O3S2 — CID 18372703

IUPAC5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-sulfonamide
SMILESCc1ccc2c(Cl)cc(S(=O)(=O)NCCSc3ccccc3)c(O)c2n1
InChIInChI=1S/C18H17ClN2O3S2/c1-12-7-8-14-15(19)11-16(18(22)17(14)21-12)26(23,24)20-9-10-25-13-5-3-2-4-6-13/h2-8,11,20,22H,9-10H2,1H3
InChIKeyQXAFUXYAGKVRSO-UHFFFAOYSA-N
MW408.93 g/mol
LogP3.97
Rot. Bonds6

About 5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-sulfonamide

5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-sulfonamide (PubChem CID 18372703) has the molecular formula C18H17ClN2O3S2 and a molecular weight of 408.93 g/mol. Its IUPAC name is 5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-sulfonamide.

Molecular Properties

Compound Name5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-sulfonamide
PubChem CID18372703
Molecular FormulaC18H17ClN2O3S2
Molecular Weight408.93 g/mol
Exact Mass408.04
IUPAC Name5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-sulfonamide
SMILESCc1ccc2c(Cl)cc(S(=O)(=O)NCCSc3ccccc3)c(O)c2n1
InChIInChI=1S/C18H17ClN2O3S2/c1-12-7-8-14-15(19)11-16(18(22)17(14)21-12)26(23,24)20-9-10-25-13-5-3-2-4-6-13/h2-8,11,20,22H,9-10H2,1H3
InChIKeyQXAFUXYAGKVRSO-UHFFFAOYSA-N
XLogP3.97
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-carboxamide
CID 18344981
5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxy-2-methylquinoline-7-sulfonamide
CID 10453395
5-chloro-2-methyl-7-phenylquinolin-8-ol
CID 122229840
5-chloro-8-hydroxy-N-methyl-2-[(E)-2-phenylethenyl]quinoline-7-sulfonamide
CID 18344982
2-amino-5-fluoro-N-(2-phenylsulfanylethyl)benzenesulfonamide
CID 61113825
methyl 2-methyl-5-(2-phenylsulfanylethylsulfamoyl)benzoate
CID 100695565
1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide
CID 33038800
2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine
CID 63535075
3-chloro-5,6-dimethyl-N-(2-phenylsulfanylethyl)pyrazin-2-amine
CID 106193058
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-[2-(4-chlorophenyl)sulfanylethyl]-2,6-difluorobenzenesulfonamide
CID 8801394
4-chloro-N-[2-(3,5-difluoro-4-hydroxyphenyl)sulfanylethyl]benzenesulfonamide
CID 10339700

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-sulfonamide?
The IUPAC name of 5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-sulfonamide (CID 18372703) is 5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-sulfonamide.
What is the SMILES notation for 5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-sulfonamide?
The canonical SMILES for 5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-sulfonamide is Cc1ccc2c(Cl)cc(S(=O)(=O)NCCSc3ccccc3)c(O)c2n1.
What is the InChIKey of 5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-sulfonamide?
The InChIKey is QXAFUXYAGKVRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S2/c1-12-7-8-14-15(19)11-16(18(22)17(14)21-12)26(23,24)20-9-10-25-13-5-3-2-4-6-13/h2-8,11,20,22H,9-10H2,1H3.
What are the key properties of 5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-sulfonamide?
5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-sulfonamide has a molecular weight of 408.93 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-hydroxy-2-methyl-N-(2-phenylsulfanylethyl)quinoline-7-sulfonamide is sourced from PubChem (CID 18372703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).