N,N-dimethyl-2-sulfanylidene-1H-benzo[cd]indole-6-sulfonamide

C13H12N2O2S2 — CID 19914607

IUPACN,N-dimethyl-2-sulfanylidene-1H-benzo[cd]indole-6-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c3c(cccc13)C(=S)N2
InChIInChI=1S/C13H12N2O2S2/c1-15(2)19(16,17)11-7-6-10-12-8(11)4-3-5-9(12)13(18)14-10/h3-7H,1-2H3,(H,14,18)
InChIKeyBQBYEUVQWZHMTR-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.19
Rot. Bonds2

About N,N-dimethyl-2-sulfanylidene-1H-benzo[cd]indole-6-sulfonamide

N,N-dimethyl-2-sulfanylidene-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 19914607) has the molecular formula C13H12N2O2S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N,N-dimethyl-2-sulfanylidene-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-sulfanylidene-1H-benzo[cd]indole-6-sulfonamide
PubChem CID19914607
Molecular FormulaC13H12N2O2S2
Molecular Weight292.39 g/mol
Exact Mass292.03
IUPAC NameN,N-dimethyl-2-sulfanylidene-1H-benzo[cd]indole-6-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c3c(cccc13)C(=S)N2
InChIInChI=1S/C13H12N2O2S2/c1-15(2)19(16,17)11-7-6-10-12-8(11)4-3-5-9(12)13(18)14-10/h3-7H,1-2H3,(H,14,18)
InChIKeyBQBYEUVQWZHMTR-UHFFFAOYSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-sulfanylidene-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of N,N-dimethyl-2-sulfanylidene-1H-benzo[cd]indole-6-sulfonamide (CID 19914607) is N,N-dimethyl-2-sulfanylidene-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2-sulfanylidene-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N,N-dimethyl-2-sulfanylidene-1H-benzo[cd]indole-6-sulfonamide is CN(C)S(=O)(=O)c1ccc2c3c(cccc13)C(=S)N2.
What is the InChIKey of N,N-dimethyl-2-sulfanylidene-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is BQBYEUVQWZHMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S2/c1-15(2)19(16,17)11-7-6-10-12-8(11)4-3-5-9(12)13(18)14-10/h3-7H,1-2H3,(H,14,18).
What are the key properties of N,N-dimethyl-2-sulfanylidene-1H-benzo[cd]indole-6-sulfonamide?
N,N-dimethyl-2-sulfanylidene-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 292.39 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-sulfanylidene-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 19914607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).