[1-(5-amino-2,4-difluorophenyl)sulfonylazetidin-3-yl]methanol

C10H12F2N2O3S — CID 107213160

IUPAC[1-(5-amino-2,4-difluorophenyl)sulfonylazetidin-3-yl]methanol
SMILESNc1cc(S(=O)(=O)N2CC(CO)C2)c(F)cc1F
InChIInChI=1S/C10H12F2N2O3S/c11-7-1-8(12)10(2-9(7)13)18(16,17)14-3-6(4-14)5-15/h1-2,6,15H,3-5,13H2
InChIKeyRSOJWMBXARREAR-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.16
Rot. Bonds3

About [1-(5-amino-2,4-difluorophenyl)sulfonylazetidin-3-yl]methanol

[1-(5-amino-2,4-difluorophenyl)sulfonylazetidin-3-yl]methanol (PubChem CID 107213160) has the molecular formula C10H12F2N2O3S and a molecular weight of 278.28 g/mol. Its IUPAC name is [1-(5-amino-2,4-difluorophenyl)sulfonylazetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5-amino-2,4-difluorophenyl)sulfonylazetidin-3-yl]methanol
PubChem CID107213160
Molecular FormulaC10H12F2N2O3S
Molecular Weight278.28 g/mol
Exact Mass278.05
IUPAC Name[1-(5-amino-2,4-difluorophenyl)sulfonylazetidin-3-yl]methanol
SMILESNc1cc(S(=O)(=O)N2CC(CO)C2)c(F)cc1F
InChIInChI=1S/C10H12F2N2O3S/c11-7-1-8(12)10(2-9(7)13)18(16,17)14-3-6(4-14)5-15/h1-2,6,15H,3-5,13H2
InChIKeyRSOJWMBXARREAR-UHFFFAOYSA-N
XLogP0.16
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.16
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

2,4-difluoro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 63973249
[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylazetidin-3-yl]methanol
CID 107213103
[1-(5-amino-2-bromophenyl)sulfonylazetidin-3-yl]methanol
CID 107213096
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluoro-4-methylaniline
CID 104957721
[1-(1-methylindol-3-yl)sulfonylazetidin-3-yl]methanol
CID 171459557
[1-(2-chloro-5-methylphenyl)sulfonylazetidin-3-yl]methanol
CID 75510156
[1-(2-amino-4,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanol
CID 43590112
3,4-difluoro-5-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 105115489
5-[3-(hydroxymethyl)azetidin-1-yl]sulfonyl-2,4-dimethylbenzoic acid
CID 107215896
4-chloro-2-fluoro-5-pyrrolidin-1-ylsulfonylaniline
CID 61112827
4-chloro-2-fluoro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 63973442
2-[1-(4-amino-3-fluorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114796820

Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-2,4-difluorophenyl)sulfonylazetidin-3-yl]methanol?
The IUPAC name of [1-(5-amino-2,4-difluorophenyl)sulfonylazetidin-3-yl]methanol (CID 107213160) is [1-(5-amino-2,4-difluorophenyl)sulfonylazetidin-3-yl]methanol.
What is the SMILES notation for [1-(5-amino-2,4-difluorophenyl)sulfonylazetidin-3-yl]methanol?
The canonical SMILES for [1-(5-amino-2,4-difluorophenyl)sulfonylazetidin-3-yl]methanol is Nc1cc(S(=O)(=O)N2CC(CO)C2)c(F)cc1F.
What is the InChIKey of [1-(5-amino-2,4-difluorophenyl)sulfonylazetidin-3-yl]methanol?
The InChIKey is RSOJWMBXARREAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3S/c11-7-1-8(12)10(2-9(7)13)18(16,17)14-3-6(4-14)5-15/h1-2,6,15H,3-5,13H2.
What are the key properties of [1-(5-amino-2,4-difluorophenyl)sulfonylazetidin-3-yl]methanol?
[1-(5-amino-2,4-difluorophenyl)sulfonylazetidin-3-yl]methanol has a molecular weight of 278.28 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-amino-2,4-difluorophenyl)sulfonylazetidin-3-yl]methanol is sourced from PubChem (CID 107213160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).