2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N-ethylethanesulfonamide

C13H19ClN2O2S — CID 103901946

IUPAC2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C13H19ClN2O2S/c1-2-16-19(17,18)6-5-15-13-8-10-3-4-12(14)7-11(10)9-13/h3-4,7,13,15-16H,2,5-6,8-9H2,1H3
InChIKeyHITKKLCQFHADRN-UHFFFAOYSA-N
MW302.83 g/mol
LogP1.34
Rot. Bonds6

About 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N-ethylethanesulfonamide

2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N-ethylethanesulfonamide (PubChem CID 103901946) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N-ethylethanesulfonamide
PubChem CID103901946
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C13H19ClN2O2S/c1-2-16-19(17,18)6-5-15-13-8-10-3-4-12(14)7-11(10)9-13/h3-4,7,13,15-16H,2,5-6,8-9H2,1H3
InChIKeyHITKKLCQFHADRN-UHFFFAOYSA-N
XLogP1.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-chloro-2-indanamine
CID 20347845
4,6-dichloro-N-(4-methylsulfonylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 75434117
5-chloro-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 75497169
1-(4-chlorophenyl)-N-[(1,1-dioxothiolan-2-yl)methyl]propan-2-amine
CID 91646932
(3S)-1-[(4-chloro-2-methylphenyl)methyl]-N-methylpyrrolidine-3-sulfonamide
CID 99855669
5-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 103778130
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-1-(3-fluorocyclopentyl)methanesulfonamide
CID 166272559
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
CID 167946353
N-[1-(4-chloro-2,3-dihydro-1H-inden-1-yl)piperidin-4-yl]methanesulfonamide
CID 71844751
2-(2,3-dihydro-1H-inden-1-ylamino)-N-propan-2-ylethanesulfonamide;hydrochloride
CID 18627833
1-(4-chlorophenyl)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]methanesulfonamide
CID 20774701
2-(4-chlorophenyl)-N-[3-[(2S)-1-methylpyrrolidin-2-yl]propyl]ethanesulfonamide
CID 20774703

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N-ethylethanesulfonamide (CID 103901946) is 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N-ethylethanesulfonamide?
The InChIKey is HITKKLCQFHADRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-2-16-19(17,18)6-5-15-13-8-10-3-4-12(14)7-11(10)9-13/h3-4,7,13,15-16H,2,5-6,8-9H2,1H3.
What are the key properties of 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N-ethylethanesulfonamide?
2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N-ethylethanesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N-ethylethanesulfonamide is sourced from PubChem (CID 103901946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).