1-ethyl-N-(furan-2-ylmethyl)-2-oxobenzo[cd]indole-6-sulfonamide

C18H16N2O4S — CID 1192842

IUPAC1-ethyl-N-(furan-2-ylmethyl)-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccco4)ccc1c23
InChIInChI=1S/C18H16N2O4S/c1-2-20-15-8-9-16(13-6-3-7-14(17(13)15)18(20)21)25(22,23)19-11-12-5-4-10-24-12/h3-10,19H,2,11H2,1H3
InChIKeyJLPGEQRLJGECLF-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.89
Rot. Bonds5

About 1-ethyl-N-(furan-2-ylmethyl)-2-oxobenzo[cd]indole-6-sulfonamide

1-ethyl-N-(furan-2-ylmethyl)-2-oxobenzo[cd]indole-6-sulfonamide (PubChem CID 1192842) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-ethyl-N-(furan-2-ylmethyl)-2-oxobenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(furan-2-ylmethyl)-2-oxobenzo[cd]indole-6-sulfonamide
PubChem CID1192842
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Name1-ethyl-N-(furan-2-ylmethyl)-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccco4)ccc1c23
InChIInChI=1S/C18H16N2O4S/c1-2-20-15-8-9-16(13-6-3-7-14(17(13)15)18(20)21)25(22,23)19-11-12-5-4-10-24-12/h3-10,19H,2,11H2,1H3
InChIKeyJLPGEQRLJGECLF-UHFFFAOYSA-N
XLogP2.89
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(2-methoxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1523405
N-(4-ethoxyphenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
CID 1720683
3-{[(2,3-dimethylphenyl)amino]sulfonyl}-N-(2-furylmethyl)-4-methylbenzamide
CID 2236972
1-[2-Furanyl(oxo)methyl]-6-(1-pyrrolidinylsulfonyl)-2-benzo[cd]indolone
CID 2981828
6-{[(3,5-dimethylphenyl)amino]sulfonyl}-N-(2-furylmethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 3244852
N-[3-(2,3-dihydro-1H-indol-1-yl)-1-(2-furyl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 3245771
N-(furan-2-ylmethyl)-2-methyl-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 3673460
2-[(Furan-2-YL)methyl]-3-{[4-(piperidine-1-sulfonyl)phenyl]amino}-2,3-dihydro-1H-isoindol-1-one
CID 9550448
N,N-Diethyl-4-({2-[(furan-2-YL)methyl]-3-oxo-2,3-dihydro-1H-isoindol-1-YL}amino)benzene-1-sulfonamide
CID 9551341
2-[(Furan-2-YL)methyl]-3-{[4-(morpholine-4-sulfonyl)phenyl]amino}-2,3-dihydro-1H-isoindol-1-one
CID 9551342
N-(2-furylmethyl)-1-methyl-4-oxo-6-(pyrrolidin-1-ylsulfonyl)-1,4-dihydroquinoline-3-carboxamide
CID 16195512
N-(2-furanylmethyl)-4-[[(1,3,3-trimethyl-2-oxo-5-indolyl)sulfonylamino]methyl]benzamide
CID 20903316

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-2-oxobenzo[cd]indole-6-sulfonamide?
The IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-2-oxobenzo[cd]indole-6-sulfonamide (CID 1192842) is 1-ethyl-N-(furan-2-ylmethyl)-2-oxobenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(furan-2-ylmethyl)-2-oxobenzo[cd]indole-6-sulfonamide?
The canonical SMILES for 1-ethyl-N-(furan-2-ylmethyl)-2-oxobenzo[cd]indole-6-sulfonamide is CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccco4)ccc1c23.
What is the InChIKey of 1-ethyl-N-(furan-2-ylmethyl)-2-oxobenzo[cd]indole-6-sulfonamide?
The InChIKey is JLPGEQRLJGECLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-2-20-15-8-9-16(13-6-3-7-14(17(13)15)18(20)21)25(22,23)19-11-12-5-4-10-24-12/h3-10,19H,2,11H2,1H3.
What are the key properties of 1-ethyl-N-(furan-2-ylmethyl)-2-oxobenzo[cd]indole-6-sulfonamide?
1-ethyl-N-(furan-2-ylmethyl)-2-oxobenzo[cd]indole-6-sulfonamide has a molecular weight of 356.40 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(furan-2-ylmethyl)-2-oxobenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 1192842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).