4-chloro-3-methoxy-N-quinolin-3-ylbenzenesulfonamide

C16H13ClN2O3S — CID 25035209

IUPAC4-chloro-3-methoxy-N-quinolin-3-ylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2cnc3ccccc3c2)ccc1Cl
InChIInChI=1S/C16H13ClN2O3S/c1-22-16-9-13(6-7-14(16)17)23(20,21)19-12-8-11-4-2-3-5-15(11)18-10-12/h2-10,19H,1H3
InChIKeyUSQBYSWGPIHTOU-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.70
Rot. Bonds4

About 4-chloro-3-methoxy-N-quinolin-3-ylbenzenesulfonamide

4-chloro-3-methoxy-N-quinolin-3-ylbenzenesulfonamide (PubChem CID 25035209) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is 4-chloro-3-methoxy-N-quinolin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-methoxy-N-quinolin-3-ylbenzenesulfonamide
PubChem CID25035209
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC Name4-chloro-3-methoxy-N-quinolin-3-ylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2cnc3ccccc3c2)ccc1Cl
InChIInChI=1S/C16H13ClN2O3S/c1-22-16-9-13(6-7-14(16)17)23(20,21)19-12-8-11-4-2-3-5-15(11)18-10-12/h2-10,19H,1H3
InChIKeyUSQBYSWGPIHTOU-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-N-quinolin-3-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-3-methoxy-N-quinolin-3-ylbenzenesulfonamide (CID 25035209) is 4-chloro-3-methoxy-N-quinolin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-3-methoxy-N-quinolin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-3-methoxy-N-quinolin-3-ylbenzenesulfonamide is COc1cc(S(=O)(=O)Nc2cnc3ccccc3c2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methoxy-N-quinolin-3-ylbenzenesulfonamide?
The InChIKey is USQBYSWGPIHTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c1-22-16-9-13(6-7-14(16)17)23(20,21)19-12-8-11-4-2-3-5-15(11)18-10-12/h2-10,19H,1H3.
What are the key properties of 4-chloro-3-methoxy-N-quinolin-3-ylbenzenesulfonamide?
4-chloro-3-methoxy-N-quinolin-3-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 4-chloro-3-methoxy-N-quinolin-3-ylbenzenesulfonamide is sourced from PubChem (CID 25035209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).