3-chloro-1-methylsulfonylindol-6-amine;hydrochloride

C9H10Cl2N2O2S — CID 139792749

IUPAC3-chloro-1-methylsulfonylindol-6-amine;hydrochloride
SMILESCS(=O)(=O)n1cc(Cl)c2ccc(N)cc21.Cl
InChIInChI=1S/C9H9ClN2O2S.ClH/c1-15(13,14)12-5-8(10)7-3-2-6(11)4-9(7)12;/h2-5H,11H2,1H3;1H
InChIKeyIERYKOBANXSHIL-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.11
Rot. Bonds1

About 3-chloro-1-methylsulfonylindol-6-amine;hydrochloride

3-chloro-1-methylsulfonylindol-6-amine;hydrochloride (PubChem CID 139792749) has the molecular formula C9H10Cl2N2O2S and a molecular weight of 281.16 g/mol. Its IUPAC name is 3-chloro-1-methylsulfonylindol-6-amine;hydrochloride.

Molecular Properties

Compound Name3-chloro-1-methylsulfonylindol-6-amine;hydrochloride
PubChem CID139792749
Molecular FormulaC9H10Cl2N2O2S
Molecular Weight281.16 g/mol
Exact Mass279.98
IUPAC Name3-chloro-1-methylsulfonylindol-6-amine;hydrochloride
SMILESCS(=O)(=O)n1cc(Cl)c2ccc(N)cc21.Cl
InChIInChI=1S/C9H9ClN2O2S.ClH/c1-15(13,14)12-5-8(10)7-3-2-6(11)4-9(7)12;/h2-5H,11H2,1H3;1H
InChIKeyIERYKOBANXSHIL-UHFFFAOYSA-N
XLogP2.11
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methylsulfonylindol-6-amine;hydrochloride?
The IUPAC name of 3-chloro-1-methylsulfonylindol-6-amine;hydrochloride (CID 139792749) is 3-chloro-1-methylsulfonylindol-6-amine;hydrochloride.
What is the SMILES notation for 3-chloro-1-methylsulfonylindol-6-amine;hydrochloride?
The canonical SMILES for 3-chloro-1-methylsulfonylindol-6-amine;hydrochloride is CS(=O)(=O)n1cc(Cl)c2ccc(N)cc21.Cl.
What is the InChIKey of 3-chloro-1-methylsulfonylindol-6-amine;hydrochloride?
The InChIKey is IERYKOBANXSHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2S.ClH/c1-15(13,14)12-5-8(10)7-3-2-6(11)4-9(7)12;/h2-5H,11H2,1H3;1H.
What are the key properties of 3-chloro-1-methylsulfonylindol-6-amine;hydrochloride?
3-chloro-1-methylsulfonylindol-6-amine;hydrochloride has a molecular weight of 281.16 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methylsulfonylindol-6-amine;hydrochloride is sourced from PubChem (CID 139792749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).