1-[(2-chlorophenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole

C16H16ClNO3S — CID 110714138

IUPAC1-[(2-chlorophenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole
SMILESCOc1ccc2c(c1)CCN2S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C16H16ClNO3S/c1-21-14-6-7-16-12(10-14)8-9-18(16)22(19,20)11-13-4-2-3-5-15(13)17/h2-7,10H,8-9,11H2,1H3
InChIKeyWMRDSMFBYZXMEP-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.24
Rot. Bonds4

About 1-[(2-chlorophenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole

1-[(2-chlorophenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole (PubChem CID 110714138) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole
PubChem CID110714138
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name1-[(2-chlorophenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole
SMILESCOc1ccc2c(c1)CCN2S(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C16H16ClNO3S/c1-21-14-6-7-16-12(10-14)8-9-18(16)22(19,20)11-13-4-2-3-5-15(13)17/h2-7,10H,8-9,11H2,1H3
InChIKeyWMRDSMFBYZXMEP-UHFFFAOYSA-N
XLogP3.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole?
The IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole (CID 110714138) is 1-[(2-chlorophenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole.
What is the SMILES notation for 1-[(2-chlorophenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole?
The canonical SMILES for 1-[(2-chlorophenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole is COc1ccc2c(c1)CCN2S(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole?
The InChIKey is WMRDSMFBYZXMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-21-14-6-7-16-12(10-14)8-9-18(16)22(19,20)11-13-4-2-3-5-15(13)17/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole?
1-[(2-chlorophenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole has a molecular weight of 337.83 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methylsulfonyl]-5-methoxy-2,3-dihydroindole is sourced from PubChem (CID 110714138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).