N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)thiophene-2-sulfonamide

C17H14N2O3S2 — CID 127033172

IUPACN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)thiophene-2-sulfonamide
SMILESCCN1C(=O)c2cccc3c(NS(=O)(=O)c4cccs4)ccc1c23
InChIInChI=1S/C17H14N2O3S2/c1-2-19-14-9-8-13(18-24(21,22)15-7-4-10-23-15)11-5-3-6-12(16(11)14)17(19)20/h3-10,18H,2H2,1H3
InChIKeyYRHSENWXIJBXCA-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.68
Rot. Bonds4

About N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)thiophene-2-sulfonamide

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)thiophene-2-sulfonamide (PubChem CID 127033172) has the molecular formula C17H14N2O3S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)thiophene-2-sulfonamide
PubChem CID127033172
Molecular FormulaC17H14N2O3S2
Molecular Weight358.44 g/mol
Exact Mass358.04
IUPAC NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)thiophene-2-sulfonamide
SMILESCCN1C(=O)c2cccc3c(NS(=O)(=O)c4cccs4)ccc1c23
InChIInChI=1S/C17H14N2O3S2/c1-2-19-14-9-8-13(18-24(21,22)15-7-4-10-23-15)11-5-3-6-12(16(11)14)17(19)20/h3-10,18H,2H2,1H3
InChIKeyYRHSENWXIJBXCA-UHFFFAOYSA-N
XLogP3.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)thiophene-2-sulfonamide (CID 127033172) is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)thiophene-2-sulfonamide is CCN1C(=O)c2cccc3c(NS(=O)(=O)c4cccs4)ccc1c23.
What is the InChIKey of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)thiophene-2-sulfonamide?
The InChIKey is YRHSENWXIJBXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S2/c1-2-19-14-9-8-13(18-24(21,22)15-7-4-10-23-15)11-5-3-6-12(16(11)14)17(19)20/h3-10,18H,2H2,1H3.
What are the key properties of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)thiophene-2-sulfonamide?
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)thiophene-2-sulfonamide has a molecular weight of 358.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 127033172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).