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

C15H14ClNO3S — CID 3863231

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C15H14ClNO3S/c1-20-14-7-6-12(16)10-15(14)21(18,19)17-9-8-11-4-2-3-5-13(11)17/h2-7,10H,8-9H2,1H3
InChIKeyGBHPCHCSJZPXLE-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.10
Rot. Bonds3

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

1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 3863231) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole
PubChem CID3863231
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C15H14ClNO3S/c1-20-14-7-6-12(16)10-15(14)21(18,19)17-9-8-11-4-2-3-5-13(11)17/h2-7,10H,8-9H2,1H3
InChIKeyGBHPCHCSJZPXLE-UHFFFAOYSA-N
XLogP3.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole (CID 3863231) is 1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole is COc1ccc(Cl)cc1S(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is GBHPCHCSJZPXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-20-14-7-6-12(16)10-15(14)21(18,19)17-9-8-11-4-2-3-5-13(11)17/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole?
1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 323.80 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 3863231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).