1-(3-amino-5-chloro-2-methylphenyl)sulfonylazetidin-3-ol

C10H13ClN2O3S — CID 107212153

IUPAC1-(3-amino-5-chloro-2-methylphenyl)sulfonylazetidin-3-ol
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)N1CC(O)C1
InChIInChI=1S/C10H13ClN2O3S/c1-6-9(12)2-7(11)3-10(6)17(15,16)13-4-8(14)5-13/h2-3,8,14H,4-5,12H2,1H3
InChIKeyMDQPDXGXECTMFJ-UHFFFAOYSA-N
MW276.74 g/mol
LogP0.60
Rot. Bonds2

About 1-(3-amino-5-chloro-2-methylphenyl)sulfonylazetidin-3-ol

1-(3-amino-5-chloro-2-methylphenyl)sulfonylazetidin-3-ol (PubChem CID 107212153) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.74 g/mol. Its IUPAC name is 1-(3-amino-5-chloro-2-methylphenyl)sulfonylazetidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-5-chloro-2-methylphenyl)sulfonylazetidin-3-ol
PubChem CID107212153
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.74 g/mol
Exact Mass276.03
IUPAC Name1-(3-amino-5-chloro-2-methylphenyl)sulfonylazetidin-3-ol
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)N1CC(O)C1
InChIInChI=1S/C10H13ClN2O3S/c1-6-9(12)2-7(11)3-10(6)17(15,16)13-4-8(14)5-13/h2-3,8,14H,4-5,12H2,1H3
InChIKeyMDQPDXGXECTMFJ-UHFFFAOYSA-N
XLogP0.60
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 50.60
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-(3-amino-5-chloro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 114378875
3-(3-tert-butylpyrrolidin-1-yl)sulfonyl-5-chloro-2-methylaniline
CID 114380136
1-(3-amino-5-chloro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 114379175
5-chloro-3-(4-ethoxypiperidin-1-yl)sulfonyl-2-methylaniline
CID 114379262
5-chloro-3-(4-ethylpiperazin-1-yl)sulfonyl-2-methylaniline
CID 114378540
5-chloro-2-methyl-3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 106313313
1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 103051379
1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-ol
CID 62956549
3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 79889840
1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol
CID 55133971
1-(3-amino-2,4-dimethylphenyl)sulfonylazetidin-3-ol
CID 114240450
(3S,4R)-1-(5-amino-4-chloro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
CID 107213252

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-chloro-2-methylphenyl)sulfonylazetidin-3-ol?
The IUPAC name of 1-(3-amino-5-chloro-2-methylphenyl)sulfonylazetidin-3-ol (CID 107212153) is 1-(3-amino-5-chloro-2-methylphenyl)sulfonylazetidin-3-ol.
What is the SMILES notation for 1-(3-amino-5-chloro-2-methylphenyl)sulfonylazetidin-3-ol?
The canonical SMILES for 1-(3-amino-5-chloro-2-methylphenyl)sulfonylazetidin-3-ol is Cc1c(N)cc(Cl)cc1S(=O)(=O)N1CC(O)C1.
What is the InChIKey of 1-(3-amino-5-chloro-2-methylphenyl)sulfonylazetidin-3-ol?
The InChIKey is MDQPDXGXECTMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c1-6-9(12)2-7(11)3-10(6)17(15,16)13-4-8(14)5-13/h2-3,8,14H,4-5,12H2,1H3.
What are the key properties of 1-(3-amino-5-chloro-2-methylphenyl)sulfonylazetidin-3-ol?
1-(3-amino-5-chloro-2-methylphenyl)sulfonylazetidin-3-ol has a molecular weight of 276.74 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-chloro-2-methylphenyl)sulfonylazetidin-3-ol is sourced from PubChem (CID 107212153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).