(2S)-1-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole

C16H16ClNO3S — CID 978182

IUPAC(2S)-1-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C16H16ClNO3S/c1-11-9-12-5-3-4-6-14(12)18(11)22(19,20)16-10-13(17)7-8-15(16)21-2/h3-8,10-11H,9H2,1-2H3/t11-/m0/s1
InChIKeyUIUODHXOSXLSQU-NSHDSACASA-N
MW337.83 g/mol
LogP3.49
Rot. Bonds3

About (2S)-1-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole

(2S)-1-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole (PubChem CID 978182) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is (2S)-1-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name(2S)-1-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
PubChem CID978182
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name(2S)-1-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C16H16ClNO3S/c1-11-9-12-5-3-4-6-14(12)18(11)22(19,20)16-10-13(17)7-8-15(16)21-2/h3-8,10-11H,9H2,1-2H3/t11-/m0/s1
InChIKeyUIUODHXOSXLSQU-NSHDSACASA-N
XLogP3.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The IUPAC name of (2S)-1-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole (CID 978182) is (2S)-1-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole.
What is the SMILES notation for (2S)-1-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The canonical SMILES for (2S)-1-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole is COc1ccc(Cl)cc1S(=O)(=O)N1c2ccccc2C[C@@H]1C.
What is the InChIKey of (2S)-1-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The InChIKey is UIUODHXOSXLSQU-NSHDSACASA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-11-9-12-5-3-4-6-14(12)18(11)22(19,20)16-10-13(17)7-8-15(16)21-2/h3-8,10-11H,9H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-1-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
(2S)-1-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole has a molecular weight of 337.83 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 978182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).