1-methyl-2-oxobenzo[cd]indole-6-sulfonamide

C12H10N2O3S — CID 1094895

IUPAC1-methyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCN1C(=O)c2cccc3c(S(N)(=O)=O)ccc1c23
InChIInChI=1S/C12H10N2O3S/c1-14-9-5-6-10(18(13,16)17)7-3-2-4-8(11(7)9)12(14)15/h2-6H,1H3,(H2,13,16,17)
InChIKeyWNOIGKUMRWCGKJ-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.08
Rot. Bonds1

About 1-methyl-2-oxobenzo[cd]indole-6-sulfonamide

1-methyl-2-oxobenzo[cd]indole-6-sulfonamide (PubChem CID 1094895) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 1-methyl-2-oxobenzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-2-oxobenzo[cd]indole-6-sulfonamide
PubChem CID1094895
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name1-methyl-2-oxobenzo[cd]indole-6-sulfonamide
SMILESCN1C(=O)c2cccc3c(S(N)(=O)=O)ccc1c23
InChIInChI=1S/C12H10N2O3S/c1-14-9-5-6-10(18(13,16)17)7-3-2-4-8(11(7)9)12(14)15/h2-6H,1H3,(H2,13,16,17)
InChIKeyWNOIGKUMRWCGKJ-UHFFFAOYSA-N
XLogP1.08
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxobenzo[cd]indole-6-sulfonamide?
The IUPAC name of 1-methyl-2-oxobenzo[cd]indole-6-sulfonamide (CID 1094895) is 1-methyl-2-oxobenzo[cd]indole-6-sulfonamide.
What is the SMILES notation for 1-methyl-2-oxobenzo[cd]indole-6-sulfonamide?
The canonical SMILES for 1-methyl-2-oxobenzo[cd]indole-6-sulfonamide is CN1C(=O)c2cccc3c(S(N)(=O)=O)ccc1c23.
What is the InChIKey of 1-methyl-2-oxobenzo[cd]indole-6-sulfonamide?
The InChIKey is WNOIGKUMRWCGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c1-14-9-5-6-10(18(13,16)17)7-3-2-4-8(11(7)9)12(14)15/h2-6H,1H3,(H2,13,16,17).
What are the key properties of 1-methyl-2-oxobenzo[cd]indole-6-sulfonamide?
1-methyl-2-oxobenzo[cd]indole-6-sulfonamide has a molecular weight of 262.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxobenzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 1094895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).