5-chloro-N-(2-methylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine

C16H16ClNO2S — CID 78997541

IUPAC5-chloro-N-(2-methylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCS(=O)(=O)c1ccccc1NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C16H16ClNO2S/c1-21(19,20)16-5-3-2-4-15(16)18-14-9-6-11-10-12(17)7-8-13(11)14/h2-5,7-8,10,14,18H,6,9H2,1H3
InChIKeyZLRGELJJFPZBDR-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.84
Rot. Bonds3

About 5-chloro-N-(2-methylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine

5-chloro-N-(2-methylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 78997541) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 5-chloro-N-(2-methylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID78997541
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name5-chloro-N-(2-methylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCS(=O)(=O)c1ccccc1NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C16H16ClNO2S/c1-21(19,20)16-5-3-2-4-15(16)18-14-9-6-11-10-12(17)7-8-13(11)14/h2-5,7-8,10,14,18H,6,9H2,1H3
InChIKeyZLRGELJJFPZBDR-UHFFFAOYSA-N
XLogP3.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 133269650
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyl-3-(methylsulfamoyl)benzamide
CID 171794448
5-chloro-N-(5-methyl-2-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 115912374
4,6-dichloro-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 166399687
N-(2-bromo-4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 81263302
(2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride
CID 119300803
5-bromo-N-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 55198817
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[2-(2-methoxyethyl)phenyl]urea
CID 126793549
5-chloro-N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 104827853
1-(2-ethylsulfanylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682192
N-(2,3-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43196442
4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide
CID 133468614

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-chloro-N-(2-methylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine (CID 78997541) is 5-chloro-N-(2-methylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-chloro-N-(2-methylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-chloro-N-(2-methylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine is CS(=O)(=O)c1ccccc1NC1CCc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-(2-methylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ZLRGELJJFPZBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-21(19,20)16-5-3-2-4-15(16)18-14-9-6-11-10-12(17)7-8-13(11)14/h2-5,7-8,10,14,18H,6,9H2,1H3.
What are the key properties of 5-chloro-N-(2-methylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine?
5-chloro-N-(2-methylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 321.83 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 78997541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).