4-methoxy-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide

C23H19NO5S — CID 2058973

IUPAC4-methoxy-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4=O)cc1
InChIInChI=1S/C23H19NO5S/c1-28-14-9-11-15(12-10-14)30(26,27)24-19-13-18-22-20(25)7-4-8-21(22)29-23(18)17-6-3-2-5-16(17)19/h2-3,5-6,9-13,24H,4,7-8H2,1H3
InChIKeyJWTUGKPRERNBNS-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.91
Rot. Bonds4

About 4-methoxy-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide

4-methoxy-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide (PubChem CID 2058973) has the molecular formula C23H19NO5S and a molecular weight of 421.47 g/mol. Its IUPAC name is 4-methoxy-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
PubChem CID2058973
Molecular FormulaC23H19NO5S
Molecular Weight421.47 g/mol
Exact Mass421.10
IUPAC Name4-methoxy-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4=O)cc1
InChIInChI=1S/C23H19NO5S/c1-28-14-9-11-15(12-10-14)30(26,27)24-19-13-18-22-20(25)7-4-8-21(22)29-23(18)17-6-3-2-5-16(17)19/h2-3,5-6,9-13,24H,4,7-8H2,1H3
InChIKeyJWTUGKPRERNBNS-UHFFFAOYSA-N
XLogP4.91
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide with MolForge

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Related Compounds

N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-methylbenzenesulfonamide
CID 789221
N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 1094884
5-{[(4-Chlorophenyl)sulfonyl]amino}-2-methylnaphtho[1,2-b]furan-3-carboxylic acid
CID 1820482
Ethyl 5-{[(4-isopropylphenyl)sulfonyl]amino}-2-phenyl-1-benzofuran-3-carboxylate
CID 2486239
2-keto-N-(7-keto-9,10-dihydro-8H-naphtho[1,2-b]benzofuran-5-yl)-1H-benzo[cd]indole-6-sulfonamide
CID 2325417
Benzyl 2-methyl-5-{[(4-methylphenyl)sulfonyl]amino}naphtho[1,2-b]furan-3-carboxylate
CID 2486113
Ethyl 5-{[(4-methoxyphenyl)sulfonyl]amino}-2-phenyl-1-benzofuran-3-carboxylate
CID 9541625
Propyl 5-(4-ethoxybenzenesulfonamido)-2-methylnaphtho[1,2-B]furan-3-carboxylate
CID 15991192
N-(3-Acetyl-2-methyl-naphtho[1,2-b]furan-5-yl)-4-tert-butyl-benzenesulfonamide
CID 1105988
N-(3-acetyl-2-methylnaphtho[1,2-b]furan-5-yl)-4-bromobenzenesulfonamide
CID 1105991
N-(3-acetyl-2-methylnaphtho[1,2-b]furan-5-yl)-4-methoxybenzenesulfonamide
CID 1183863
Methyl 5-(4-ethoxybenzenesulfonamido)-2-(methoxymethyl)naphtho[1,2-B]furan-3-carboxylate
CID 1326813

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide (CID 2058973) is 4-methoxy-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4=O)cc1.
What is the InChIKey of 4-methoxy-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide?
The InChIKey is JWTUGKPRERNBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5S/c1-28-14-9-11-15(12-10-14)30(26,27)24-19-13-18-22-20(25)7-4-8-21(22)29-23(18)17-6-3-2-5-16(17)19/h2-3,5-6,9-13,24H,4,7-8H2,1H3.
What are the key properties of 4-methoxy-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide?
4-methoxy-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide has a molecular weight of 421.47 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(7-oxo-9,10-dihydro-8H-naphtho[1,2-b][1]benzofuran-5-yl)benzenesulfonamide is sourced from PubChem (CID 2058973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).