N-[4-(furan-3-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide

C23H18N2O5S — CID 155518033

IUPACN-[4-(furan-3-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(-c4ccoc4)cc13)C(=O)N2C
InChIInChI=1S/C23H18N2O5S/c1-25-19-8-7-18(24-31(27,28)21-6-4-3-5-20(21)29-2)16-11-15(14-9-10-30-13-14)12-17(22(16)19)23(25)26/h3-13,24H,1-2H3
InChIKeyWXNOUWJOCIVGNH-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.50
Rot. Bonds5

About N-[4-(furan-3-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide

N-[4-(furan-3-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide (PubChem CID 155518033) has the molecular formula C23H18N2O5S and a molecular weight of 434.47 g/mol. Its IUPAC name is N-[4-(furan-3-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(furan-3-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide
PubChem CID155518033
Molecular FormulaC23H18N2O5S
Molecular Weight434.47 g/mol
Exact Mass434.09
IUPAC NameN-[4-(furan-3-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(-c4ccoc4)cc13)C(=O)N2C
InChIInChI=1S/C23H18N2O5S/c1-25-19-8-7-18(24-31(27,28)21-6-4-3-5-20(21)29-2)16-11-15(14-9-10-30-13-14)12-17(22(16)19)23(25)26/h3-13,24H,1-2H3
InChIKeyWXNOUWJOCIVGNH-UHFFFAOYSA-N
XLogP4.50
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Bromo-N-(1-Ethyl-2-Oxo-1,2-Dihydrobenzo[cd]indol-6-Yl)-2-Methoxybenzenesulfonamide
CID 105539860
2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide
CID 145829182
5-chloro-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide
CID 127031094
Methyl 3-[6-[(2-methoxyphenyl)sulfonylamino]-1-methyl-2-oxobenzo[cd]indol-4-yl]propanoate
CID 155682739
N-(4-ethoxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1720683
6-[[4-(4-methoxyphenyl)sulfonylphenyl]methyl-methylamino]-5-methyl-1H-benzo[cd]indol-2-one
CID 15169687
4-chloro-2-methoxy-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
CID 155530217
2-methoxy-N-[1-methyl-4-(5-methylfuran-2-yl)-2-oxobenzo[cd]indol-6-yl]benzenesulfonamide
CID 155536305
2-ethoxy-N-methyl-N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
CID 155544158
1-ethyl-N-(2-furylmethyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1192842
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2,5-dimethoxybenzenesulfonamide
CID 127031095
N-(2-furylmethyl)-1-methyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 2234049

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-3-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[4-(furan-3-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide (CID 155518033) is N-[4-(furan-3-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(furan-3-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-(furan-3-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(-c4ccoc4)cc13)C(=O)N2C.
What is the InChIKey of N-[4-(furan-3-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide?
The InChIKey is WXNOUWJOCIVGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5S/c1-25-19-8-7-18(24-31(27,28)21-6-4-3-5-20(21)29-2)16-11-15(14-9-10-30-13-14)12-17(22(16)19)23(25)26/h3-13,24H,1-2H3.
What are the key properties of N-[4-(furan-3-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide?
N-[4-(furan-3-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide has a molecular weight of 434.47 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-3-yl)-1-methyl-2-oxobenzo[cd]indol-6-yl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 155518033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).