2-(azetidin-2-yl)-N-[(4-chlorophenyl)methyl]ethanesulfonamide

C12H17ClN2O2S — CID 115071344

IUPAC2-(azetidin-2-yl)-N-[(4-chlorophenyl)methyl]ethanesulfonamide
SMILESO=S(=O)(CCC1CCN1)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O2S/c13-11-3-1-10(2-4-11)9-15-18(16,17)8-6-12-5-7-14-12/h1-4,12,14-15H,5-9H2
InChIKeyMAWKXKMZIQCQAM-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.51
Rot. Bonds6

About 2-(azetidin-2-yl)-N-[(4-chlorophenyl)methyl]ethanesulfonamide

2-(azetidin-2-yl)-N-[(4-chlorophenyl)methyl]ethanesulfonamide (PubChem CID 115071344) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-(azetidin-2-yl)-N-[(4-chlorophenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(azetidin-2-yl)-N-[(4-chlorophenyl)methyl]ethanesulfonamide
PubChem CID115071344
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name2-(azetidin-2-yl)-N-[(4-chlorophenyl)methyl]ethanesulfonamide
SMILESO=S(=O)(CCC1CCN1)NCc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O2S/c13-11-3-1-10(2-4-11)9-15-18(16,17)8-6-12-5-7-14-12/h1-4,12,14-15H,5-9H2
InChIKeyMAWKXKMZIQCQAM-UHFFFAOYSA-N
XLogP1.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[3-(pyrrolidin-1-yl)propyl]methanesulfonamide
CID 10543484
2-[(3-Chlorophenyl)methylazaniumyl]ethanesulfonate
CID 72200945
2-[(3-Chlorobenzyl)amino]ethanesulfonic Acid
CID 18439273
2-Amino-2-(4-chlorophenyl)ethanesulfonic acid
CID 124575
2-[(4-Chlorobenzyl)amino]ethanesulfonic Acid
CID 18439261
N-[2-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]ethyl]methanesulfonamide
CID 71988834
2-[4-[1-(4-Chlorophenyl)ethyl]piperazin-1-yl]ethanesulfonamide
CID 72115464
N-[2-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 75370041
3-[4-[1-(4-Chlorophenyl)ethyl]piperazin-1-yl]propane-1-sulfonamide
CID 75374970
N-[1-(4-chlorophenyl)ethyl]-1-(2-methylsulfonylethyl)piperidin-4-amine
CID 75427998
2-[(4-Chlorophenyl)methylsulfonylamino]ethyl-diethylazanium
CID 78225416
3-(4-Chlorophenyl)-1lambda6,2-thiazolidine-1,1-dione
CID 165461641

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-2-yl)-N-[(4-chlorophenyl)methyl]ethanesulfonamide?
The IUPAC name of 2-(azetidin-2-yl)-N-[(4-chlorophenyl)methyl]ethanesulfonamide (CID 115071344) is 2-(azetidin-2-yl)-N-[(4-chlorophenyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(azetidin-2-yl)-N-[(4-chlorophenyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(azetidin-2-yl)-N-[(4-chlorophenyl)methyl]ethanesulfonamide is O=S(=O)(CCC1CCN1)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-(azetidin-2-yl)-N-[(4-chlorophenyl)methyl]ethanesulfonamide?
The InChIKey is MAWKXKMZIQCQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c13-11-3-1-10(2-4-11)9-15-18(16,17)8-6-12-5-7-14-12/h1-4,12,14-15H,5-9H2.
What are the key properties of 2-(azetidin-2-yl)-N-[(4-chlorophenyl)methyl]ethanesulfonamide?
2-(azetidin-2-yl)-N-[(4-chlorophenyl)methyl]ethanesulfonamide has a molecular weight of 288.80 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-2-yl)-N-[(4-chlorophenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 115071344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).