1-(azetidin-2-yl)-N-[(2-chlorophenyl)methyl]methanesulfonamide

C11H15ClN2O2S — CID 115071274

IUPAC1-(azetidin-2-yl)-N-[(2-chlorophenyl)methyl]methanesulfonamide
SMILESO=S(=O)(CC1CCN1)NCc1ccccc1Cl
InChIInChI=1S/C11H15ClN2O2S/c12-11-4-2-1-3-9(11)7-14-17(15,16)8-10-5-6-13-10/h1-4,10,13-14H,5-8H2
InChIKeyIUWYGSINHKQZFC-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.12
Rot. Bonds5

About 1-(azetidin-2-yl)-N-[(2-chlorophenyl)methyl]methanesulfonamide

1-(azetidin-2-yl)-N-[(2-chlorophenyl)methyl]methanesulfonamide (PubChem CID 115071274) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 1-(azetidin-2-yl)-N-[(2-chlorophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(azetidin-2-yl)-N-[(2-chlorophenyl)methyl]methanesulfonamide
PubChem CID115071274
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name1-(azetidin-2-yl)-N-[(2-chlorophenyl)methyl]methanesulfonamide
SMILESO=S(=O)(CC1CCN1)NCc1ccccc1Cl
InChIInChI=1S/C11H15ClN2O2S/c12-11-4-2-1-3-9(11)7-14-17(15,16)8-10-5-6-13-10/h1-4,10,13-14H,5-8H2
InChIKeyIUWYGSINHKQZFC-UHFFFAOYSA-N
XLogP1.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-2-yl)-N-[(2-hydroxyphenyl)methyl]methanesulfonamide
CID 115071276
N-[(2-hydroxyphenyl)methyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 115071289
2-[(2-chlorophenyl)methyl]azetidine
CID 84658268
N-[(2-chlorophenyl)methyl]piperazine-1-sulfonamide
CID 28775763
N-(2-chlorophenyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54973701
N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731898
1-(azetidin-2-yl)-N-(3-chlorophenyl)methanesulfonamide
CID 115071237
N-[(2-chlorophenyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 66604460
N-[[2-(aminomethyl)phenyl]methyl]-1-cyclopropylmethanesulfonamide
CID 64989311
1-[(2-chlorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 60858419
(2S)-N-[(2-chlorophenyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 35293436
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-2-yl)-N-[(2-chlorophenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(azetidin-2-yl)-N-[(2-chlorophenyl)methyl]methanesulfonamide (CID 115071274) is 1-(azetidin-2-yl)-N-[(2-chlorophenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(azetidin-2-yl)-N-[(2-chlorophenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(azetidin-2-yl)-N-[(2-chlorophenyl)methyl]methanesulfonamide is O=S(=O)(CC1CCN1)NCc1ccccc1Cl.
What is the InChIKey of 1-(azetidin-2-yl)-N-[(2-chlorophenyl)methyl]methanesulfonamide?
The InChIKey is IUWYGSINHKQZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c12-11-4-2-1-3-9(11)7-14-17(15,16)8-10-5-6-13-10/h1-4,10,13-14H,5-8H2.
What are the key properties of 1-(azetidin-2-yl)-N-[(2-chlorophenyl)methyl]methanesulfonamide?
1-(azetidin-2-yl)-N-[(2-chlorophenyl)methyl]methanesulfonamide has a molecular weight of 274.77 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-2-yl)-N-[(2-chlorophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 115071274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).