1-ethyl-N-[(2-fluorophenyl)methyl]-2-oxobenzo[cd]indole-6-sulfinamide

C20H17FN2O2S — CID 144874579

IUPAC1-ethyl-N-[(2-fluorophenyl)methyl]-2-oxobenzo[cd]indole-6-sulfinamide
SMILESCCN1C(=O)c2cccc3c(S(=O)NCc4ccccc4F)ccc1c23
InChIInChI=1S/C20H17FN2O2S/c1-2-23-17-10-11-18(14-7-5-8-15(19(14)17)20(23)24)26(25)22-12-13-6-3-4-9-16(13)21/h3-11,22H,2,12H2,1H3
InChIKeyAOTVTEWJTCKRGA-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.77
Rot. Bonds5

About 1-ethyl-N-[(2-fluorophenyl)methyl]-2-oxobenzo[cd]indole-6-sulfinamide

1-ethyl-N-[(2-fluorophenyl)methyl]-2-oxobenzo[cd]indole-6-sulfinamide (PubChem CID 144874579) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-ethyl-N-[(2-fluorophenyl)methyl]-2-oxobenzo[cd]indole-6-sulfinamide.

Molecular Properties

Compound Name1-ethyl-N-[(2-fluorophenyl)methyl]-2-oxobenzo[cd]indole-6-sulfinamide
PubChem CID144874579
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC Name1-ethyl-N-[(2-fluorophenyl)methyl]-2-oxobenzo[cd]indole-6-sulfinamide
SMILESCCN1C(=O)c2cccc3c(S(=O)NCc4ccccc4F)ccc1c23
InChIInChI=1S/C20H17FN2O2S/c1-2-23-17-10-11-18(14-7-5-8-15(19(14)17)20(23)24)26(25)22-12-13-6-3-4-9-16(13)21/h3-11,22H,2,12H2,1H3
InChIKeyAOTVTEWJTCKRGA-UHFFFAOYSA-N
XLogP3.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2-fluorophenyl)methyl]-2-oxobenzo[cd]indole-6-sulfinamide?
The IUPAC name of 1-ethyl-N-[(2-fluorophenyl)methyl]-2-oxobenzo[cd]indole-6-sulfinamide (CID 144874579) is 1-ethyl-N-[(2-fluorophenyl)methyl]-2-oxobenzo[cd]indole-6-sulfinamide.
What is the SMILES notation for 1-ethyl-N-[(2-fluorophenyl)methyl]-2-oxobenzo[cd]indole-6-sulfinamide?
The canonical SMILES for 1-ethyl-N-[(2-fluorophenyl)methyl]-2-oxobenzo[cd]indole-6-sulfinamide is CCN1C(=O)c2cccc3c(S(=O)NCc4ccccc4F)ccc1c23.
What is the InChIKey of 1-ethyl-N-[(2-fluorophenyl)methyl]-2-oxobenzo[cd]indole-6-sulfinamide?
The InChIKey is AOTVTEWJTCKRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c1-2-23-17-10-11-18(14-7-5-8-15(19(14)17)20(23)24)26(25)22-12-13-6-3-4-9-16(13)21/h3-11,22H,2,12H2,1H3.
What are the key properties of 1-ethyl-N-[(2-fluorophenyl)methyl]-2-oxobenzo[cd]indole-6-sulfinamide?
1-ethyl-N-[(2-fluorophenyl)methyl]-2-oxobenzo[cd]indole-6-sulfinamide has a molecular weight of 368.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2-fluorophenyl)methyl]-2-oxobenzo[cd]indole-6-sulfinamide is sourced from PubChem (CID 144874579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).