5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide

C16H13ClN2O3S — CID 76506690

IUPAC5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc2cccnc12
InChIInChI=1S/C16H13ClN2O3S/c1-22-14-8-7-12(17)10-15(14)23(20,21)19-13-6-2-4-11-5-3-9-18-16(11)13/h2-10,19H,1H3
InChIKeyFMPBEDOPRAYBDY-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.70
Rot. Bonds4

About 5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide

5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide (PubChem CID 76506690) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide
PubChem CID76506690
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC Name5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc2cccnc12
InChIInChI=1S/C16H13ClN2O3S/c1-22-14-8-7-12(17)10-15(14)23(20,21)19-13-6-2-4-11-5-3-9-18-16(11)13/h2-10,19H,1H3
InChIKeyFMPBEDOPRAYBDY-UHFFFAOYSA-N
XLogP3.70
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid
CID 24502180
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 4664874
2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide
CID 24621400
2-chloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-sulfonamide
CID 43388263
2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide
CID 24629216
N-(2,3-dimethoxyphenyl)quinoline-8-sulfonamide
CID 3866922
4-N-(5-chloro-2-methoxyphenyl)-6-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112866059
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
N-(5-chloro-2-methoxyphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103303356
N-(3-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzenesulfonamide
CID 172538343
dimethyl 2-(quinolin-8-ylsulfamoyl)benzene-1,4-dicarboxylate
CID 24502183

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide (CID 76506690) is 5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc2cccnc12.
What is the InChIKey of 5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide?
The InChIKey is FMPBEDOPRAYBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c1-22-14-8-7-12(17)10-15(14)23(20,21)19-13-6-2-4-11-5-3-9-18-16(11)13/h2-10,19H,1H3.
What are the key properties of 5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide?
5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide has a molecular weight of 348.81 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide is sourced from PubChem (CID 76506690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).