1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-methylindole-3-sulfonamide

C13H16N4O2S — CID 20756756

IUPAC1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-methylindole-3-sulfonamide
SMILESCNS(=O)(=O)c1cn(CC2=NCCN2)c2ccccc12
InChIInChI=1S/C13H16N4O2S/c1-14-20(18,19)12-8-17(9-13-15-6-7-16-13)11-5-3-2-4-10(11)12/h2-5,8,14H,6-7,9H2,1H3,(H,15,16)
InChIKeyDVHLWDSNAFRYFA-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.55
Rot. Bonds4

About 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-methylindole-3-sulfonamide

1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-methylindole-3-sulfonamide (PubChem CID 20756756) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-methylindole-3-sulfonamide.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-methylindole-3-sulfonamide
PubChem CID20756756
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-methylindole-3-sulfonamide
SMILESCNS(=O)(=O)c1cn(CC2=NCCN2)c2ccccc12
InChIInChI=1S/C13H16N4O2S/c1-14-20(18,19)12-8-17(9-13-15-6-7-16-13)11-5-3-2-4-10(11)12/h2-5,8,14H,6-7,9H2,1H3,(H,15,16)
InChIKeyDVHLWDSNAFRYFA-UHFFFAOYSA-N
XLogP0.55
TPSA75.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-methylindole-3-sulfonamide?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-methylindole-3-sulfonamide (CID 20756756) is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-methylindole-3-sulfonamide.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-methylindole-3-sulfonamide?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-methylindole-3-sulfonamide is CNS(=O)(=O)c1cn(CC2=NCCN2)c2ccccc12.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-methylindole-3-sulfonamide?
The InChIKey is DVHLWDSNAFRYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-14-20(18,19)12-8-17(9-13-15-6-7-16-13)11-5-3-2-4-10(11)12/h2-5,8,14H,6-7,9H2,1H3,(H,15,16).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-methylindole-3-sulfonamide?
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-methylindole-3-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-methylindole-3-sulfonamide is sourced from PubChem (CID 20756756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).