4-chloro-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide

C18H17ClN2O3S — CID 110643307

IUPAC4-chloro-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide
SMILESCc1cc2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)ccc2[nH]c1=O
InChIInChI=1S/C18H17ClN2O3S/c1-12-10-14-11-13(2-7-17(14)21-18(12)22)8-9-20-25(23,24)16-5-3-15(19)4-6-16/h2-7,10-11,20H,8-9H2,1H3,(H,21,22)
InChIKeyMSYDGIPXTDFSGM-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.01
Rot. Bonds5

About 4-chloro-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide

4-chloro-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide (PubChem CID 110643307) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide
PubChem CID110643307
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC Name4-chloro-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide
SMILESCc1cc2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)ccc2[nH]c1=O
InChIInChI=1S/C18H17ClN2O3S/c1-12-10-14-11-13(2-7-17(14)21-18(12)22)8-9-20-25(23,24)16-5-3-15(19)4-6-16/h2-7,10-11,20H,8-9H2,1H3,(H,21,22)
InChIKeyMSYDGIPXTDFSGM-UHFFFAOYSA-N
XLogP3.01
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide (CID 110643307) is 4-chloro-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide is Cc1cc2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)ccc2[nH]c1=O.
What is the InChIKey of 4-chloro-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide?
The InChIKey is MSYDGIPXTDFSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c1-12-10-14-11-13(2-7-17(14)21-18(12)22)8-9-20-25(23,24)16-5-3-15(19)4-6-16/h2-7,10-11,20H,8-9H2,1H3,(H,21,22).
What are the key properties of 4-chloro-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide?
4-chloro-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide has a molecular weight of 376.87 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110643307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).