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

C10H12Cl2N2O3S — CID 107212732

IUPAC1-(3-amino-2,4-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol
SMILESCC1(O)CN(S(=O)(=O)c2ccc(Cl)c(N)c2Cl)C1
InChIInChI=1S/C10H12Cl2N2O3S/c1-10(15)4-14(5-10)18(16,17)7-3-2-6(11)9(13)8(7)12/h2-3,15H,4-5,13H2,1H3
InChIKeyVHHDPAHQPKWXBQ-UHFFFAOYSA-N
MW311.19 g/mol
LogP1.33
Rot. Bonds2

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

1-(3-amino-2,4-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol (PubChem CID 107212732) has the molecular formula C10H12Cl2N2O3S and a molecular weight of 311.19 g/mol. Its IUPAC name is 1-(3-amino-2,4-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-2,4-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol
PubChem CID107212732
Molecular FormulaC10H12Cl2N2O3S
Molecular Weight311.19 g/mol
Exact Mass309.99
IUPAC Name1-(3-amino-2,4-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol
SMILESCC1(O)CN(S(=O)(=O)c2ccc(Cl)c(N)c2Cl)C1
InChIInChI=1S/C10H12Cl2N2O3S/c1-10(15)4-14(5-10)18(16,17)7-3-2-6(11)9(13)8(7)12/h2-3,15H,4-5,13H2,1H3
InChIKeyVHHDPAHQPKWXBQ-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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Related Compounds

1-(2-chloro-5-fluorophenyl)sulfonyl-3-methylazetidin-3-ol
CID 105400409
2,6-dichloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylaniline
CID 104957703
1-(2-amino-4,6-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol
CID 107212769
1-(2,3-dichlorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103333
[(2R)-1-(3-amino-2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212258
1-(3-amino-2,4-difluorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 107343719
1-(2-chloro-4-fluorophenyl)sulfonyl-3-methylpiperidin-3-ol
CID 115872362
methyl 4-amino-2-(3-hydroxy-3-methylazetidin-1-yl)sulfonylbenzoate
CID 107212697
3-amino-2,4-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 106099337
1-(3-amino-4-bromophenyl)sulfonyl-3-methylazetidin-3-ol
CID 107212691
5-chloro-2-fluoro-3-(3-hydroxy-3-methylazetidin-1-yl)sulfonylbenzoic acid
CID 107215635
1-(5-amino-4-chloro-2-methylphenyl)sulfonyl-3-propan-2-ylazetidin-3-ol
CID 107213068

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,4-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol?
The IUPAC name of 1-(3-amino-2,4-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol (CID 107212732) is 1-(3-amino-2,4-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol.
What is the SMILES notation for 1-(3-amino-2,4-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol?
The canonical SMILES for 1-(3-amino-2,4-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol is CC1(O)CN(S(=O)(=O)c2ccc(Cl)c(N)c2Cl)C1.
What is the InChIKey of 1-(3-amino-2,4-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol?
The InChIKey is VHHDPAHQPKWXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O3S/c1-10(15)4-14(5-10)18(16,17)7-3-2-6(11)9(13)8(7)12/h2-3,15H,4-5,13H2,1H3.
What are the key properties of 1-(3-amino-2,4-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol?
1-(3-amino-2,4-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-(3-amino-2,4-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol is sourced from PubChem (CID 107212732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).