1-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobenzo[cd]indole-6-sulfonamide

C17H15N3O3S2 — CID 1192814

IUPAC1-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4nc(C)cs4)ccc1c23
InChIInChI=1S/C17H15N3O3S2/c1-3-20-13-7-8-14(11-5-4-6-12(15(11)13)16(20)21)25(22,23)19-17-18-10(2)9-24-17/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyCAKGBYDIMPLDQM-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.39
Rot. Bonds4

About 1-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobenzo[cd]indole-6-sulfonamide

1-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobenzo[cd]indole-6-sulfonamide (PubChem CID 1192814) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobenzo[cd]indole-6-sulfonamide
PubChem CID1192814
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC Name1-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4nc(C)cs4)ccc1c23
InChIInChI=1S/C17H15N3O3S2/c1-3-20-13-7-8-14(11-5-4-6-12(15(11)13)16(20)21)25(22,23)19-17-18-10(2)9-24-17/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyCAKGBYDIMPLDQM-UHFFFAOYSA-N
XLogP3.39
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobenzo[cd]indole-6-sulfonamide?
The IUPAC name of 1-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobenzo[cd]indole-6-sulfonamide (CID 1192814) is 1-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobenzo[cd]indole-6-sulfonamide?
The canonical SMILES for 1-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobenzo[cd]indole-6-sulfonamide is CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4nc(C)cs4)ccc1c23.
What is the InChIKey of 1-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobenzo[cd]indole-6-sulfonamide?
The InChIKey is CAKGBYDIMPLDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c1-3-20-13-7-8-14(11-5-4-6-12(15(11)13)16(20)21)25(22,23)19-17-18-10(2)9-24-17/h4-9H,3H2,1-2H3,(H,18,19).
What are the key properties of 1-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobenzo[cd]indole-6-sulfonamide?
1-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobenzo[cd]indole-6-sulfonamide has a molecular weight of 373.46 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-oxobenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 1192814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).