1-ethyl-2-oxo-N-pyridin-3-ylbenzo[cd]indole-6-sulfonamide

C18H15N3O3S — CID 118197299

IUPAC1-ethyl-2-oxo-N-pyridin-3-ylbenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccnc4)ccc1c23
InChIInChI=1S/C18H15N3O3S/c1-2-21-15-8-9-16(13-6-3-7-14(17(13)15)18(21)22)25(23,24)20-12-5-4-10-19-11-12/h3-11,20H,2H2,1H3
InChIKeyWOGWANHBAZEOHP-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.02
Rot. Bonds4

About 1-ethyl-2-oxo-N-pyridin-3-ylbenzo[cd]indole-6-sulfonamide

1-ethyl-2-oxo-N-pyridin-3-ylbenzo[cd]indole-6-sulfonamide (PubChem CID 118197299) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-ethyl-2-oxo-N-pyridin-3-ylbenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-oxo-N-pyridin-3-ylbenzo[cd]indole-6-sulfonamide
PubChem CID118197299
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name1-ethyl-2-oxo-N-pyridin-3-ylbenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccnc4)ccc1c23
InChIInChI=1S/C18H15N3O3S/c1-2-21-15-8-9-16(13-6-3-7-14(17(13)15)18(21)22)25(23,24)20-12-5-4-10-19-11-12/h3-11,20H,2H2,1H3
InChIKeyWOGWANHBAZEOHP-UHFFFAOYSA-N
XLogP3.02
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxo-N-pyridin-3-ylbenzo[cd]indole-6-sulfonamide?
The IUPAC name of 1-ethyl-2-oxo-N-pyridin-3-ylbenzo[cd]indole-6-sulfonamide (CID 118197299) is 1-ethyl-2-oxo-N-pyridin-3-ylbenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 1-ethyl-2-oxo-N-pyridin-3-ylbenzo[cd]indole-6-sulfonamide?
The canonical SMILES for 1-ethyl-2-oxo-N-pyridin-3-ylbenzo[cd]indole-6-sulfonamide is CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4cccnc4)ccc1c23.
What is the InChIKey of 1-ethyl-2-oxo-N-pyridin-3-ylbenzo[cd]indole-6-sulfonamide?
The InChIKey is WOGWANHBAZEOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-2-21-15-8-9-16(13-6-3-7-14(17(13)15)18(21)22)25(23,24)20-12-5-4-10-19-11-12/h3-11,20H,2H2,1H3.
What are the key properties of 1-ethyl-2-oxo-N-pyridin-3-ylbenzo[cd]indole-6-sulfonamide?
1-ethyl-2-oxo-N-pyridin-3-ylbenzo[cd]indole-6-sulfonamide has a molecular weight of 353.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxo-N-pyridin-3-ylbenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 118197299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).