3-chloro-N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

C22H19ClN2O4S — CID 1146884

IUPAC3-chloro-N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc2cc(CN(Cc3ccco3)S(=O)(=O)c3cccc(Cl)c3)c(=O)[nH]c2c1
InChIInChI=1S/C22H19ClN2O4S/c1-15-7-8-16-11-17(22(26)24-21(16)10-15)13-25(14-19-5-3-9-29-19)30(27,28)20-6-2-4-18(23)12-20/h2-12H,13-14H2,1H3,(H,24,26)
InChIKeyRSLGAEKXCDAILG-UHFFFAOYSA-N
MW442.92 g/mol
LogP4.47
Rot. Bonds6

About 3-chloro-N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

3-chloro-N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (PubChem CID 1146884) has the molecular formula C22H19ClN2O4S and a molecular weight of 442.92 g/mol. Its IUPAC name is 3-chloro-N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
PubChem CID1146884
Molecular FormulaC22H19ClN2O4S
Molecular Weight442.92 g/mol
Exact Mass442.08
IUPAC Name3-chloro-N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc2cc(CN(Cc3ccco3)S(=O)(=O)c3cccc(Cl)c3)c(=O)[nH]c2c1
InChIInChI=1S/C22H19ClN2O4S/c1-15-7-8-16-11-17(22(26)24-21(16)10-15)13-25(14-19-5-3-9-29-19)30(27,28)20-6-2-4-18(23)12-20/h2-12H,13-14H2,1H3,(H,24,26)
InChIKeyRSLGAEKXCDAILG-UHFFFAOYSA-N
XLogP4.47
TPSA83.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.92
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide with MolForge

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Related Compounds

methyl 4-[furan-2-ylmethyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
CID 1146897
4-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 1165373
N-benzyl-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1149817
N-[(4-fluorophenyl)methyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1161628
N-(furan-2-ylmethyl)-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1164892
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 1161660
ethyl 3-[furan-2-ylmethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
CID 1164906
N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 1168700
N-(2-hydroxyethyl)-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1161687
ethyl 4-[furan-2-ylmethyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate
CID 3184218
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3765229
N-(3,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 23605192

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (CID 1146884) is 3-chloro-N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is Cc1ccc2cc(CN(Cc3ccco3)S(=O)(=O)c3cccc(Cl)c3)c(=O)[nH]c2c1.
What is the InChIKey of 3-chloro-N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The InChIKey is RSLGAEKXCDAILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O4S/c1-15-7-8-16-11-17(22(26)24-21(16)10-15)13-25(14-19-5-3-9-29-19)30(27,28)20-6-2-4-18(23)12-20/h2-12H,13-14H2,1H3,(H,24,26).
What are the key properties of 3-chloro-N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
3-chloro-N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide has a molecular weight of 442.92 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 1146884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).