1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propan-2-ylazetidin-3-ol

C13H19ClN2O3S — CID 107213068

IUPAC1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propan-2-ylazetidin-3-ol
SMILESCc1cc(Cl)c(N)cc1S(=O)(=O)N1CC(O)(C(C)C)C1
InChIInChI=1S/C13H19ClN2O3S/c1-8(2)13(17)6-16(7-13)20(18,19)12-5-11(15)10(14)4-9(12)3/h4-5,8,17H,6-7,15H2,1-3H3
InChIKeyAATMRUKBOJVIRX-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.62
Rot. Bonds3

About 1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propan-2-ylazetidin-3-ol

1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propan-2-ylazetidin-3-ol (PubChem CID 107213068) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propan-2-ylazetidin-3-ol.

Molecular Properties

Compound Name1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propan-2-ylazetidin-3-ol
PubChem CID107213068
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propan-2-ylazetidin-3-ol
SMILESCc1cc(Cl)c(N)cc1S(=O)(=O)N1CC(O)(C(C)C)C1
InChIInChI=1S/C13H19ClN2O3S/c1-8(2)13(17)6-16(7-13)20(18,19)12-5-11(15)10(14)4-9(12)3/h4-5,8,17H,6-7,15H2,1-3H3
InChIKeyAATMRUKBOJVIRX-UHFFFAOYSA-N
XLogP1.62
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propan-2-ylazetidin-3-ol 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

1-(5-amino-2-methoxy-4-methylphenyl)sulfonyl-3-propan-2-ylazetidin-3-ol
CID 107213040
(3S,4R)-1-(5-amino-4-chloro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
CID 107213252
4-chloro-3-(3-hydroxy-3-propan-2-ylazetidin-1-yl)sulfonylbenzonitrile
CID 80703873
(3S)-1-(5-amino-4-chloro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 107213866
1-(3-amino-4-ethylphenyl)sulfonyl-3-propan-2-ylazetidin-3-ol
CID 107213011
1-[(6-amino-1H-indol-3-yl)sulfonyl]-3-propan-2-ylazetidin-3-ol
CID 107212999
1-[1-(5-amino-2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 106835228
2-bromo-4-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylaniline
CID 114625187
4-fluoro-3-(3-hydroxy-3-propan-2-ylazetidin-1-yl)sulfonylbenzoic acid
CID 107215840
5-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 115454066
5-bromo-4-(3-hydroxy-3-propan-2-ylazetidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 107215834
1-(3-amino-2,4-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol
CID 107212732

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propan-2-ylazetidin-3-ol?
The IUPAC name of 1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propan-2-ylazetidin-3-ol (CID 107213068) is 1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propan-2-ylazetidin-3-ol.
What is the SMILES notation for 1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propan-2-ylazetidin-3-ol?
The canonical SMILES for 1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propan-2-ylazetidin-3-ol is Cc1cc(Cl)c(N)cc1S(=O)(=O)N1CC(O)(C(C)C)C1.
What is the InChIKey of 1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propan-2-ylazetidin-3-ol?
The InChIKey is AATMRUKBOJVIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-8(2)13(17)6-16(7-13)20(18,19)12-5-11(15)10(14)4-9(12)3/h4-5,8,17H,6-7,15H2,1-3H3.
What are the key properties of 1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propan-2-ylazetidin-3-ol?
1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propan-2-ylazetidin-3-ol has a molecular weight of 318.83 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propan-2-ylazetidin-3-ol is sourced from PubChem (CID 107213068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).