5-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-1H-imidazol-2-amine;hydrochloride

C18H17ClN4O3S — CID 155510927

IUPAC5-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-1H-imidazol-2-amine;hydrochloride
SMILESCOc1ccc2c(c1)c(-c1cnc(N)[nH]1)cn2S(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C18H16N4O3S.ClH/c1-25-12-7-8-17-14(9-12)15(16-10-20-18(19)21-16)11-22(17)26(23,24)13-5-3-2-4-6-13;/h2-11H,1H3,(H3,19,20,21);1H
InChIKeyGJDXAYDBLVQEKU-UHFFFAOYSA-N
MW404.88 g/mol
LogP3.28
Rot. Bonds4

About 5-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-1H-imidazol-2-amine;hydrochloride

5-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-1H-imidazol-2-amine;hydrochloride (PubChem CID 155510927) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-1H-imidazol-2-amine;hydrochloride
PubChem CID155510927
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC Name5-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-1H-imidazol-2-amine;hydrochloride
SMILESCOc1ccc2c(c1)c(-c1cnc(N)[nH]1)cn2S(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C18H16N4O3S.ClH/c1-25-12-7-8-17-14(9-12)15(16-10-20-18(19)21-16)11-22(17)26(23,24)13-5-3-2-4-6-13;/h2-11H,1H3,(H3,19,20,21);1H
InChIKeyGJDXAYDBLVQEKU-UHFFFAOYSA-N
XLogP3.28
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of 5-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-1H-imidazol-2-amine;hydrochloride (CID 155510927) is 5-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for 5-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-1H-imidazol-2-amine;hydrochloride is COc1ccc2c(c1)c(-c1cnc(N)[nH]1)cn2S(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of 5-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-1H-imidazol-2-amine;hydrochloride?
The InChIKey is GJDXAYDBLVQEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S.ClH/c1-25-12-7-8-17-14(9-12)15(16-10-20-18(19)21-16)11-22(17)26(23,24)13-5-3-2-4-6-13;/h2-11H,1H3,(H3,19,20,21);1H.
What are the key properties of 5-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-1H-imidazol-2-amine;hydrochloride?
5-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-1H-imidazol-2-amine;hydrochloride has a molecular weight of 404.88 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 155510927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).