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

C23H19ClN2O3S — CID 1162872

IUPACN-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)cc1
InChIInChI=1S/C23H19ClN2O3S/c1-15-7-10-18(11-8-15)30(28,29)25-14-20-22(16-5-3-2-4-6-16)19-13-17(24)9-12-21(19)26-23(20)27/h2-13,25H,14H2,1H3,(H,26,27)
InChIKeyHDYVRWWHPKPOGI-UHFFFAOYSA-N
MW438.94 g/mol
LogP4.64
Rot. Bonds5

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

N-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide (PubChem CID 1162872) has the molecular formula C23H19ClN2O3S and a molecular weight of 438.94 g/mol. Its IUPAC name is N-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
PubChem CID1162872
Molecular FormulaC23H19ClN2O3S
Molecular Weight438.94 g/mol
Exact Mass438.08
IUPAC NameN-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)cc1
InChIInChI=1S/C23H19ClN2O3S/c1-15-7-10-18(11-8-15)30(28,29)25-14-20-22(16-5-3-2-4-6-16)19-13-17(24)9-12-21(19)26-23(20)27/h2-13,25H,14H2,1H3,(H,26,27)
InChIKeyHDYVRWWHPKPOGI-UHFFFAOYSA-N
XLogP4.64
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide (CID 1162872) is N-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)cc1.
What is the InChIKey of N-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is HDYVRWWHPKPOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3S/c1-15-7-10-18(11-8-15)30(28,29)25-14-20-22(16-5-3-2-4-6-16)19-13-17(24)9-12-21(19)26-23(20)27/h2-13,25H,14H2,1H3,(H,26,27).
What are the key properties of N-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide?
N-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 438.94 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 1162872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).