1-ethyl-N-(3-methyl-2-pyridinyl)-2-oxobenzo[cd]indole-6-sulfonamide

C19H17N3O3S — CID 1235115

IUPAC1-ethyl-N-(3-methyl-2-pyridinyl)-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ncccc4C)ccc1c23
InChIInChI=1S/C19H17N3O3S/c1-3-22-15-9-10-16(13-7-4-8-14(17(13)15)19(22)23)26(24,25)21-18-12(2)6-5-11-20-18/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyFPJDMUSGMVHUOA-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.32
Rot. Bonds4

About 1-ethyl-N-(3-methyl-2-pyridinyl)-2-oxobenzo[cd]indole-6-sulfonamide

1-ethyl-N-(3-methyl-2-pyridinyl)-2-oxobenzo[cd]indole-6-sulfonamide (PubChem CID 1235115) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-ethyl-N-(3-methyl-2-pyridinyl)-2-oxobenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(3-methyl-2-pyridinyl)-2-oxobenzo[cd]indole-6-sulfonamide
PubChem CID1235115
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name1-ethyl-N-(3-methyl-2-pyridinyl)-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ncccc4C)ccc1c23
InChIInChI=1S/C19H17N3O3S/c1-3-22-15-9-10-16(13-7-4-8-14(17(13)15)19(22)23)26(24,25)21-18-12(2)6-5-11-20-18/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyFPJDMUSGMVHUOA-UHFFFAOYSA-N
XLogP3.32
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-methyl-2-pyridinyl)-2-oxobenzo[cd]indole-6-sulfonamide?
The IUPAC name of 1-ethyl-N-(3-methyl-2-pyridinyl)-2-oxobenzo[cd]indole-6-sulfonamide (CID 1235115) is 1-ethyl-N-(3-methyl-2-pyridinyl)-2-oxobenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(3-methyl-2-pyridinyl)-2-oxobenzo[cd]indole-6-sulfonamide?
The canonical SMILES for 1-ethyl-N-(3-methyl-2-pyridinyl)-2-oxobenzo[cd]indole-6-sulfonamide is CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ncccc4C)ccc1c23.
What is the InChIKey of 1-ethyl-N-(3-methyl-2-pyridinyl)-2-oxobenzo[cd]indole-6-sulfonamide?
The InChIKey is FPJDMUSGMVHUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-3-22-15-9-10-16(13-7-4-8-14(17(13)15)19(22)23)26(24,25)21-18-12(2)6-5-11-20-18/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of 1-ethyl-N-(3-methyl-2-pyridinyl)-2-oxobenzo[cd]indole-6-sulfonamide?
1-ethyl-N-(3-methyl-2-pyridinyl)-2-oxobenzo[cd]indole-6-sulfonamide has a molecular weight of 367.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-methyl-2-pyridinyl)-2-oxobenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 1235115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).