N-[(2S)-1-[3-(2-chlorophenoxy)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide

C13H17ClN2O4S — CID 97152963

IUPACN-[(2S)-1-[3-(2-chlorophenoxy)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
SMILESC[C@H](NS(C)(=O)=O)C(=O)N1CC(Oc2ccccc2Cl)C1
InChIInChI=1S/C13H17ClN2O4S/c1-9(15-21(2,18)19)13(17)16-7-10(8-16)20-12-6-4-3-5-11(12)14/h3-6,9-10,15H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyRYHNNQDEFRMRIX-VIFPVBQESA-N
MW332.81 g/mol
LogP0.87
Rot. Bonds5

About N-[(2S)-1-[3-(2-chlorophenoxy)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide

N-[(2S)-1-[3-(2-chlorophenoxy)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide (PubChem CID 97152963) has the molecular formula C13H17ClN2O4S and a molecular weight of 332.81 g/mol. Its IUPAC name is N-[(2S)-1-[3-(2-chlorophenoxy)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-(2-chlorophenoxy)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
PubChem CID97152963
Molecular FormulaC13H17ClN2O4S
Molecular Weight332.81 g/mol
Exact Mass332.06
IUPAC NameN-[(2S)-1-[3-(2-chlorophenoxy)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
SMILESC[C@H](NS(C)(=O)=O)C(=O)N1CC(Oc2ccccc2Cl)C1
InChIInChI=1S/C13H17ClN2O4S/c1-9(15-21(2,18)19)13(17)16-7-10(8-16)20-12-6-4-3-5-11(12)14/h3-6,9-10,15H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyRYHNNQDEFRMRIX-VIFPVBQESA-N
XLogP0.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[3-(2-chlorophenoxy)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one
CID 124593505
2-amino-1-[3-(2-chlorophenoxy)azetidin-1-yl]-2-cyclopropylpropan-1-one
CID 75483886
3-amino-1-[3-(2-chlorophenoxy)piperidin-1-yl]butan-1-one
CID 120873460
(4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 96581204
(2S)-2-amino-1-[(3R)-3-(2-chlorophenoxy)pyrrolidin-1-yl]pentan-1-one
CID 97261184
1-[3-(2-chlorophenoxy)azetidin-1-yl]-3-imidazol-1-ylbutan-1-one
CID 118786424
1-tert-butyl-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 70741375
[3-(2-chlorophenoxy)azetidin-1-yl]-(1-methylazepan-2-yl)methanone
CID 70771967
1-[2-(2-chlorophenoxy)propanoyl]-N-methylazetidine-3-carboxamide
CID 136532070
2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 51097874
2-methoxy-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94799743
methyl 3-(2-chlorophenoxy)cyclobutane-1-carboxylate
CID 134430249

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-(2-chlorophenoxy)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The IUPAC name of N-[(2S)-1-[3-(2-chlorophenoxy)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide (CID 97152963) is N-[(2S)-1-[3-(2-chlorophenoxy)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-1-[3-(2-chlorophenoxy)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[(2S)-1-[3-(2-chlorophenoxy)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide is C[C@H](NS(C)(=O)=O)C(=O)N1CC(Oc2ccccc2Cl)C1.
What is the InChIKey of N-[(2S)-1-[3-(2-chlorophenoxy)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
The InChIKey is RYHNNQDEFRMRIX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17ClN2O4S/c1-9(15-21(2,18)19)13(17)16-7-10(8-16)20-12-6-4-3-5-11(12)14/h3-6,9-10,15H,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of N-[(2S)-1-[3-(2-chlorophenoxy)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide?
N-[(2S)-1-[3-(2-chlorophenoxy)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide has a molecular weight of 332.81 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-(2-chlorophenoxy)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide is sourced from PubChem (CID 97152963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).