4-chloro-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide

C19H19ClN2O3S — CID 22430774

IUPAC4-chloro-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
SMILESCc1ccc2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1C
InChIInChI=1S/C19H19ClN2O3S/c1-12-3-4-14-11-15(19(23)22-18(14)13(12)2)9-10-21-26(24,25)17-7-5-16(20)6-8-17/h3-8,11,21H,9-10H2,1-2H3,(H,22,23)
InChIKeyVBJYBVUOFCTQPN-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.32
Rot. Bonds5

About 4-chloro-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide

4-chloro-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide (PubChem CID 22430774) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is 4-chloro-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
PubChem CID22430774
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC Name4-chloro-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
SMILESCc1ccc2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1C
InChIInChI=1S/C19H19ClN2O3S/c1-12-3-4-14-11-15(19(23)22-18(14)13(12)2)9-10-21-26(24,25)17-7-5-16(20)6-8-17/h3-8,11,21H,9-10H2,1-2H3,(H,22,23)
InChIKeyVBJYBVUOFCTQPN-UHFFFAOYSA-N
XLogP3.32
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide with MolForge

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Related Compounds

N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 110326222
3-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
CID 110325232
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 110326227
2-(4-chlorophenyl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110326206
1-(4-chlorophenyl)-3-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiourea
CID 7137004
4-bromo-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 4068078
4-chloro-N-[2-(3-methyl-2-oxo-1H-quinolin-6-yl)ethyl]benzenesulfonamide
CID 110643307
1-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylthiourea
CID 7136969
4-chloro-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3186058
4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666564
3-[(3-chloro-4-methylanilino)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 25318828
4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 110325662

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide (CID 22430774) is 4-chloro-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide is Cc1ccc2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1C.
What is the InChIKey of 4-chloro-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide?
The InChIKey is VBJYBVUOFCTQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-12-3-4-14-11-15(19(23)22-18(14)13(12)2)9-10-21-26(24,25)17-7-5-16(20)6-8-17/h3-8,11,21H,9-10H2,1-2H3,(H,22,23).
What are the key properties of 4-chloro-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide?
4-chloro-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide has a molecular weight of 390.89 g/mol, XLogP of 3.32, 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-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 22430774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).