4-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide

C23H21ClN2O6S — CID 1165373

IUPAC4-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C23H21ClN2O6S/c1-30-21-11-15-10-16(23(27)25-20(15)12-22(21)31-2)13-26(14-18-4-3-9-32-18)33(28,29)19-7-5-17(24)6-8-19/h3-12H,13-14H2,1-2H3,(H,25,27)
InChIKeyIBXBTLCYYVMGQU-UHFFFAOYSA-N
MW488.95 g/mol
LogP4.18
Rot. Bonds8

About 4-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide

4-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 1165373) has the molecular formula C23H21ClN2O6S and a molecular weight of 488.95 g/mol. Its IUPAC name is 4-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID1165373
Molecular FormulaC23H21ClN2O6S
Molecular Weight488.95 g/mol
Exact Mass488.08
IUPAC Name4-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C23H21ClN2O6S/c1-30-21-11-15-10-16(23(27)25-20(15)12-22(21)31-2)13-26(14-18-4-3-9-32-18)33(28,29)19-7-5-17(24)6-8-19/h3-12H,13-14H2,1-2H3,(H,25,27)
InChIKeyIBXBTLCYYVMGQU-UHFFFAOYSA-N
XLogP4.18
TPSA101.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.95
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1164892
3-chloro-N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1146884
N-benzyl-4-tert-butyl-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1170524
methyl 4-[furan-2-ylmethyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
CID 1146897
ethyl 4-[furan-2-ylmethyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]sulfamoyl]benzoate
CID 3184218
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 1165503
N-benzyl-4-chloro-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]benzenesulfonamide
CID 3186053
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1169997
ethyl 3-[furan-2-ylmethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
CID 1164906
ethyl 4-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate
CID 3184182
N-(furan-2-ylmethyl)-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 3696608
N-[(4-chlorophenyl)methyl]-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 5235777

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide (CID 1165373) is 4-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide is COc1cc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2cc1OC.
What is the InChIKey of 4-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is IBXBTLCYYVMGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O6S/c1-30-21-11-15-10-16(23(27)25-20(15)12-22(21)31-2)13-26(14-18-4-3-9-32-18)33(28,29)19-7-5-17(24)6-8-19/h3-12H,13-14H2,1-2H3,(H,25,27).
What are the key properties of 4-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
4-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 488.95 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 1165373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).