6-N,8-N-dimethyl-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide

C13H13N3O5S2 — CID 1110213

IUPAC6-N,8-N-dimethyl-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide
SMILESCNS(=O)(=O)c1cc(S(=O)(=O)NC)c2cccc3c2c1NC3=O
InChIInChI=1S/C13H13N3O5S2/c1-14-22(18,19)9-6-10(23(20,21)15-2)12-11-7(9)4-3-5-8(11)13(17)16-12/h3-6,14-15H,1-2H3,(H,16,17)
InChIKeyDVLRAZVOELDXMM-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.22
Rot. Bonds4

About 6-N,8-N-dimethyl-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide

6-N,8-N-dimethyl-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide (PubChem CID 1110213) has the molecular formula C13H13N3O5S2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 6-N,8-N-dimethyl-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide.

Molecular Properties

Compound Name6-N,8-N-dimethyl-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide
PubChem CID1110213
Molecular FormulaC13H13N3O5S2
Molecular Weight355.40 g/mol
Exact Mass355.03
IUPAC Name6-N,8-N-dimethyl-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide
SMILESCNS(=O)(=O)c1cc(S(=O)(=O)NC)c2cccc3c2c1NC3=O
InChIInChI=1S/C13H13N3O5S2/c1-14-22(18,19)9-6-10(23(20,21)15-2)12-11-7(9)4-3-5-8(11)13(17)16-12/h3-6,14-15H,1-2H3,(H,16,17)
InChIKeyDVLRAZVOELDXMM-UHFFFAOYSA-N
XLogP0.22
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N,8-N-dimethyl-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide?
The IUPAC name of 6-N,8-N-dimethyl-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide (CID 1110213) is 6-N,8-N-dimethyl-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide.
What is the SMILES notation for 6-N,8-N-dimethyl-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide?
The canonical SMILES for 6-N,8-N-dimethyl-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide is CNS(=O)(=O)c1cc(S(=O)(=O)NC)c2cccc3c2c1NC3=O.
What is the InChIKey of 6-N,8-N-dimethyl-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide?
The InChIKey is DVLRAZVOELDXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5S2/c1-14-22(18,19)9-6-10(23(20,21)15-2)12-11-7(9)4-3-5-8(11)13(17)16-12/h3-6,14-15H,1-2H3,(H,16,17).
What are the key properties of 6-N,8-N-dimethyl-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide?
6-N,8-N-dimethyl-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide has a molecular weight of 355.40 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,8-N-dimethyl-2-oxo-1H-benzo[cd]indole-6,8-disulfonamide is sourced from PubChem (CID 1110213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).