2-[[3-(2-chlorophenyl)cyclobutyl]amino]-N-methylethanesulfonamide

C13H19ClN2O2S — CID 106333820

IUPAC2-[[3-(2-chlorophenyl)cyclobutyl]amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNC1CC(c2ccccc2Cl)C1
InChIInChI=1S/C13H19ClN2O2S/c1-15-19(17,18)7-6-16-11-8-10(9-11)12-4-2-3-5-13(12)14/h2-5,10-11,15-16H,6-9H2,1H3
InChIKeyQXROUPNLXWOEMY-UHFFFAOYSA-N
MW302.83 g/mol
LogP1.72
Rot. Bonds6

About 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-N-methylethanesulfonamide

2-[[3-(2-chlorophenyl)cyclobutyl]amino]-N-methylethanesulfonamide (PubChem CID 106333820) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[[3-(2-chlorophenyl)cyclobutyl]amino]-N-methylethanesulfonamide
PubChem CID106333820
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name2-[[3-(2-chlorophenyl)cyclobutyl]amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNC1CC(c2ccccc2Cl)C1
InChIInChI=1S/C13H19ClN2O2S/c1-15-19(17,18)7-6-16-11-8-10(9-11)12-4-2-3-5-13(12)14/h2-5,10-11,15-16H,6-9H2,1H3
InChIKeyQXROUPNLXWOEMY-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[(3-phenylcyclobutyl)amino]ethanesulfonamide
CID 102676035
N-[3-(2-chlorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634888
3-(2-chlorophenyl)-N-(2-methyl-2-methylsulfonylpropyl)cyclobutan-1-amine
CID 79551184
N-[3-(2-chlorophenyl)cyclobutyl]-3-methylsulfonylpropanamide
CID 75373370
methyl 2-[[3-(2-chlorophenyl)cyclobutyl]amino]acetate
CID 43632755
3-(2-chlorophenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632516
3-[[3-(2-chlorophenyl)cyclobutyl]amino]-2,2-difluoropropan-1-ol
CID 106172971
3-(2-chlorophenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
CID 80680673
2-(3,4-dihydro-1H-isothiochromen-4-ylamino)-N-methylethanesulfonamide
CID 102676185
N-[3-(2-chlorophenyl)cyclobutyl]-3,4,5-trifluoroaniline
CID 63478402
N-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)ethanesulfonamide
CID 106333859
3-(2-chlorophenyl)-N-[(1,1-dioxothiolan-2-yl)methyl]cyclobutan-1-amine
CID 81039527

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-N-methylethanesulfonamide (CID 106333820) is 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNC1CC(c2ccccc2Cl)C1.
What is the InChIKey of 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-N-methylethanesulfonamide?
The InChIKey is QXROUPNLXWOEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-15-19(17,18)7-6-16-11-8-10(9-11)12-4-2-3-5-13(12)14/h2-5,10-11,15-16H,6-9H2,1H3.
What are the key properties of 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-N-methylethanesulfonamide?
2-[[3-(2-chlorophenyl)cyclobutyl]amino]-N-methylethanesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-chlorophenyl)cyclobutyl]amino]-N-methylethanesulfonamide is sourced from PubChem (CID 106333820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).