6-methylsulfonyl-1-[(E)-3-phenylprop-2-enoxy]indole

C18H17NO3S — CID 6104200

IUPAC6-methylsulfonyl-1-[(E)-3-phenylprop-2-enoxy]indole
SMILESCS(=O)(=O)c1ccc2ccn(OC/C=C/c3ccccc3)c2c1
InChIInChI=1S/C18H17NO3S/c1-23(20,21)17-10-9-16-11-12-19(18(16)14-17)22-13-5-8-15-6-3-2-4-7-15/h2-12,14H,13H2,1H3/b8-5+
InChIKeyXXYBOXOEFDGMNX-VMPITWQZSA-N
MW327.41 g/mol
LogP3.19
Rot. Bonds5

About 6-methylsulfonyl-1-[(E)-3-phenylprop-2-enoxy]indole

6-methylsulfonyl-1-[(E)-3-phenylprop-2-enoxy]indole (PubChem CID 6104200) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 6-methylsulfonyl-1-[(E)-3-phenylprop-2-enoxy]indole.

Molecular Properties

Compound Name6-methylsulfonyl-1-[(E)-3-phenylprop-2-enoxy]indole
PubChem CID6104200
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name6-methylsulfonyl-1-[(E)-3-phenylprop-2-enoxy]indole
SMILESCS(=O)(=O)c1ccc2ccn(OC/C=C/c3ccccc3)c2c1
InChIInChI=1S/C18H17NO3S/c1-23(20,21)17-10-9-16-11-12-19(18(16)14-17)22-13-5-8-15-6-3-2-4-7-15/h2-12,14H,13H2,1H3/b8-5+
InChIKeyXXYBOXOEFDGMNX-VMPITWQZSA-N
XLogP3.19
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-1-[(E)-3-phenylprop-2-enoxy]indole?
The IUPAC name of 6-methylsulfonyl-1-[(E)-3-phenylprop-2-enoxy]indole (CID 6104200) is 6-methylsulfonyl-1-[(E)-3-phenylprop-2-enoxy]indole.
What is the SMILES notation for 6-methylsulfonyl-1-[(E)-3-phenylprop-2-enoxy]indole?
The canonical SMILES for 6-methylsulfonyl-1-[(E)-3-phenylprop-2-enoxy]indole is CS(=O)(=O)c1ccc2ccn(OC/C=C/c3ccccc3)c2c1.
What is the InChIKey of 6-methylsulfonyl-1-[(E)-3-phenylprop-2-enoxy]indole?
The InChIKey is XXYBOXOEFDGMNX-VMPITWQZSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-23(20,21)17-10-9-16-11-12-19(18(16)14-17)22-13-5-8-15-6-3-2-4-7-15/h2-12,14H,13H2,1H3/b8-5+.
What are the key properties of 6-methylsulfonyl-1-[(E)-3-phenylprop-2-enoxy]indole?
6-methylsulfonyl-1-[(E)-3-phenylprop-2-enoxy]indole has a molecular weight of 327.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-1-[(E)-3-phenylprop-2-enoxy]indole is sourced from PubChem (CID 6104200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).