1-(3-amino-5-fluoro-4-methoxyphenyl)sulfonyl-3-cyclopropylazetidin-3-ol

C13H17FN2O4S — CID 107212534

IUPAC1-(3-amino-5-fluoro-4-methoxyphenyl)sulfonyl-3-cyclopropylazetidin-3-ol
SMILESCOc1c(N)cc(S(=O)(=O)N2CC(O)(C3CC3)C2)cc1F
InChIInChI=1S/C13H17FN2O4S/c1-20-12-10(14)4-9(5-11(12)15)21(18,19)16-6-13(17,7-16)8-2-3-8/h4-5,8,17H,2-3,6-7,15H2,1H3
InChIKeyMIYGCMUFRQUBBR-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.56
Rot. Bonds4

About 1-(3-amino-5-fluoro-4-methoxyphenyl)sulfonyl-3-cyclopropylazetidin-3-ol

1-(3-amino-5-fluoro-4-methoxyphenyl)sulfonyl-3-cyclopropylazetidin-3-ol (PubChem CID 107212534) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 1-(3-amino-5-fluoro-4-methoxyphenyl)sulfonyl-3-cyclopropylazetidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-5-fluoro-4-methoxyphenyl)sulfonyl-3-cyclopropylazetidin-3-ol
PubChem CID107212534
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name1-(3-amino-5-fluoro-4-methoxyphenyl)sulfonyl-3-cyclopropylazetidin-3-ol
SMILESCOc1c(N)cc(S(=O)(=O)N2CC(O)(C3CC3)C2)cc1F
InChIInChI=1S/C13H17FN2O4S/c1-20-12-10(14)4-9(5-11(12)15)21(18,19)16-6-13(17,7-16)8-2-3-8/h4-5,8,17H,2-3,6-7,15H2,1H3
InChIKeyMIYGCMUFRQUBBR-UHFFFAOYSA-N
XLogP0.56
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline
CID 114624899
3-fluoro-2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylaniline
CID 114624782
1-(4-amino-2,6-difluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol
CID 107212543
5-(2,3-dimethylpiperidin-1-yl)sulfonyl-3-fluoro-2-methoxyaniline
CID 114625577
1-(3-amino-4-chlorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol
CID 107212622
[4-(3-amino-5-fluoro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanol
CID 114625967
1-(2-amino-6-fluorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol
CID 107212606
1-(5-amino-2-fluoro-3-methylphenyl)sulfonyl-3-cyclopropylazetidin-3-ol
CID 107212589
3-amino-N-cyclopropyl-5-fluoro-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 114625181
3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5-fluoro-4-methoxybenzenesulfonamide
CID 114625777
(3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea
CID 114626312
3-amino-5-fluoro-4-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 114625905

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-fluoro-4-methoxyphenyl)sulfonyl-3-cyclopropylazetidin-3-ol?
The IUPAC name of 1-(3-amino-5-fluoro-4-methoxyphenyl)sulfonyl-3-cyclopropylazetidin-3-ol (CID 107212534) is 1-(3-amino-5-fluoro-4-methoxyphenyl)sulfonyl-3-cyclopropylazetidin-3-ol.
What is the SMILES notation for 1-(3-amino-5-fluoro-4-methoxyphenyl)sulfonyl-3-cyclopropylazetidin-3-ol?
The canonical SMILES for 1-(3-amino-5-fluoro-4-methoxyphenyl)sulfonyl-3-cyclopropylazetidin-3-ol is COc1c(N)cc(S(=O)(=O)N2CC(O)(C3CC3)C2)cc1F.
What is the InChIKey of 1-(3-amino-5-fluoro-4-methoxyphenyl)sulfonyl-3-cyclopropylazetidin-3-ol?
The InChIKey is MIYGCMUFRQUBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c1-20-12-10(14)4-9(5-11(12)15)21(18,19)16-6-13(17,7-16)8-2-3-8/h4-5,8,17H,2-3,6-7,15H2,1H3.
What are the key properties of 1-(3-amino-5-fluoro-4-methoxyphenyl)sulfonyl-3-cyclopropylazetidin-3-ol?
1-(3-amino-5-fluoro-4-methoxyphenyl)sulfonyl-3-cyclopropylazetidin-3-ol has a molecular weight of 316.35 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-fluoro-4-methoxyphenyl)sulfonyl-3-cyclopropylazetidin-3-ol is sourced from PubChem (CID 107212534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).