2-(2-methoxyphenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine

C16H17NO3S — CID 64676069

IUPAC2-(2-methoxyphenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccccc1S(=O)(=O)C1Cc2ccccc2C1N
InChIInChI=1S/C16H17NO3S/c1-20-13-8-4-5-9-14(13)21(18,19)15-10-11-6-2-3-7-12(11)16(15)17/h2-9,15-16H,10,17H2,1H3
InChIKeyXMSRLBLRZPUYLS-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.09
Rot. Bonds3

About 2-(2-methoxyphenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine

2-(2-methoxyphenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 64676069) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine
PubChem CID64676069
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name2-(2-methoxyphenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccccc1S(=O)(=O)C1Cc2ccccc2C1N
InChIInChI=1S/C16H17NO3S/c1-20-13-8-4-5-9-14(13)21(18,19)15-10-11-6-2-3-7-12(11)16(15)17/h2-9,15-16H,10,17H2,1H3
InChIKeyXMSRLBLRZPUYLS-UHFFFAOYSA-N
XLogP2.09
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(2-methoxyphenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine (CID 64676069) is 2-(2-methoxyphenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(2-methoxyphenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(2-methoxyphenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine is COc1ccccc1S(=O)(=O)C1Cc2ccccc2C1N.
What is the InChIKey of 2-(2-methoxyphenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is XMSRLBLRZPUYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-20-13-8-4-5-9-14(13)21(18,19)15-10-11-6-2-3-7-12(11)16(15)17/h2-9,15-16H,10,17H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine?
2-(2-methoxyphenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 303.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 64676069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).