1-(2-amino-4,6-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol

C10H12Cl2N2O3S — CID 107212769

IUPAC1-(2-amino-4,6-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol
SMILESCC1(O)CN(S(=O)(=O)c2c(N)cc(Cl)cc2Cl)C1
InChIInChI=1S/C10H12Cl2N2O3S/c1-10(15)4-14(5-10)18(16,17)9-7(12)2-6(11)3-8(9)13/h2-3,15H,4-5,13H2,1H3
InChIKeyBZSIDOKWVWYQRX-UHFFFAOYSA-N
MW311.19 g/mol
LogP1.33
Rot. Bonds2

About 1-(2-amino-4,6-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol

1-(2-amino-4,6-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol (PubChem CID 107212769) has the molecular formula C10H12Cl2N2O3S and a molecular weight of 311.19 g/mol. Its IUPAC name is 1-(2-amino-4,6-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-(2-amino-4,6-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol
PubChem CID107212769
Molecular FormulaC10H12Cl2N2O3S
Molecular Weight311.19 g/mol
Exact Mass309.99
IUPAC Name1-(2-amino-4,6-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol
SMILESCC1(O)CN(S(=O)(=O)c2c(N)cc(Cl)cc2Cl)C1
InChIInChI=1S/C10H12Cl2N2O3S/c1-10(15)4-14(5-10)18(16,17)9-7(12)2-6(11)3-8(9)13/h2-3,15H,4-5,13H2,1H3
InChIKeyBZSIDOKWVWYQRX-UHFFFAOYSA-N
XLogP1.33
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,6-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol?
The IUPAC name of 1-(2-amino-4,6-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol (CID 107212769) is 1-(2-amino-4,6-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol.
What is the SMILES notation for 1-(2-amino-4,6-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol?
The canonical SMILES for 1-(2-amino-4,6-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol is CC1(O)CN(S(=O)(=O)c2c(N)cc(Cl)cc2Cl)C1.
What is the InChIKey of 1-(2-amino-4,6-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol?
The InChIKey is BZSIDOKWVWYQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O3S/c1-10(15)4-14(5-10)18(16,17)9-7(12)2-6(11)3-8(9)13/h2-3,15H,4-5,13H2,1H3.
What are the key properties of 1-(2-amino-4,6-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol?
1-(2-amino-4,6-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol has a molecular weight of 311.19 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,6-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol is sourced from PubChem (CID 107212769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).