N-(2,3-dihydro-1H-indol-5-yl)-1-ethylimidazole-4-sulfonamide

C13H16N4O2S — CID 79372870

IUPACN-(2,3-dihydro-1H-indol-5-yl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2ccc3c(c2)CCN3)c1
InChIInChI=1S/C13H16N4O2S/c1-2-17-8-13(15-9-17)20(18,19)16-11-3-4-12-10(7-11)5-6-14-12/h3-4,7-9,14,16H,2,5-6H2,1H3
InChIKeyPWLGRQZGJPARDM-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.67
Rot. Bonds4

About N-(2,3-dihydro-1H-indol-5-yl)-1-ethylimidazole-4-sulfonamide

N-(2,3-dihydro-1H-indol-5-yl)-1-ethylimidazole-4-sulfonamide (PubChem CID 79372870) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-5-yl)-1-ethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-5-yl)-1-ethylimidazole-4-sulfonamide
PubChem CID79372870
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-(2,3-dihydro-1H-indol-5-yl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2ccc3c(c2)CCN3)c1
InChIInChI=1S/C13H16N4O2S/c1-2-17-8-13(15-9-17)20(18,19)16-11-3-4-12-10(7-11)5-6-14-12/h3-4,7-9,14,16H,2,5-6H2,1H3
InChIKeyPWLGRQZGJPARDM-UHFFFAOYSA-N
XLogP1.67
TPSA76.02 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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-1-ethylimidazole-4-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-1-ethylimidazole-4-sulfonamide (CID 79372870) is N-(2,3-dihydro-1H-indol-5-yl)-1-ethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-5-yl)-1-ethylimidazole-4-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-indol-5-yl)-1-ethylimidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)Nc2ccc3c(c2)CCN3)c1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-5-yl)-1-ethylimidazole-4-sulfonamide?
The InChIKey is PWLGRQZGJPARDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-2-17-8-13(15-9-17)20(18,19)16-11-3-4-12-10(7-11)5-6-14-12/h3-4,7-9,14,16H,2,5-6H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-indol-5-yl)-1-ethylimidazole-4-sulfonamide?
N-(2,3-dihydro-1H-indol-5-yl)-1-ethylimidazole-4-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-5-yl)-1-ethylimidazole-4-sulfonamide is sourced from PubChem (CID 79372870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).