7-chloro-1-(2-methylphenyl)sulfonylindole

C15H12ClNO2S — CID 174453185

IUPAC7-chloro-1-(2-methylphenyl)sulfonylindole
SMILESCc1ccccc1S(=O)(=O)n1ccc2cccc(Cl)c21
InChIInChI=1S/C15H12ClNO2S/c1-11-5-2-3-8-14(11)20(18,19)17-10-9-12-6-4-7-13(16)15(12)17/h2-10H,1H3
InChIKeyAMGXAEGVLKFYOZ-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.84
Rot. Bonds2

About 7-chloro-1-(2-methylphenyl)sulfonylindole

7-chloro-1-(2-methylphenyl)sulfonylindole (PubChem CID 174453185) has the molecular formula C15H12ClNO2S and a molecular weight of 305.79 g/mol. Its IUPAC name is 7-chloro-1-(2-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name7-chloro-1-(2-methylphenyl)sulfonylindole
PubChem CID174453185
Molecular FormulaC15H12ClNO2S
Molecular Weight305.79 g/mol
Exact Mass305.03
IUPAC Name7-chloro-1-(2-methylphenyl)sulfonylindole
SMILESCc1ccccc1S(=O)(=O)n1ccc2cccc(Cl)c21
InChIInChI=1S/C15H12ClNO2S/c1-11-5-2-3-8-14(11)20(18,19)17-10-9-12-6-4-7-13(16)15(12)17/h2-10H,1H3
InChIKeyAMGXAEGVLKFYOZ-UHFFFAOYSA-N
XLogP3.84
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2-methylphenyl)sulfonylindole?
The IUPAC name of 7-chloro-1-(2-methylphenyl)sulfonylindole (CID 174453185) is 7-chloro-1-(2-methylphenyl)sulfonylindole.
What is the SMILES notation for 7-chloro-1-(2-methylphenyl)sulfonylindole?
The canonical SMILES for 7-chloro-1-(2-methylphenyl)sulfonylindole is Cc1ccccc1S(=O)(=O)n1ccc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-(2-methylphenyl)sulfonylindole?
The InChIKey is AMGXAEGVLKFYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2S/c1-11-5-2-3-8-14(11)20(18,19)17-10-9-12-6-4-7-13(16)15(12)17/h2-10H,1H3.
What are the key properties of 7-chloro-1-(2-methylphenyl)sulfonylindole?
7-chloro-1-(2-methylphenyl)sulfonylindole has a molecular weight of 305.79 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2-methylphenyl)sulfonylindole is sourced from PubChem (CID 174453185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).