[2-(azetidin-1-ylsulfonyl)-4-fluorophenyl]methanamine

C10H13FN2O2S — CID 21069824

IUPAC[2-(azetidin-1-ylsulfonyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1S(=O)(=O)N1CCC1
InChIInChI=1S/C10H13FN2O2S/c11-9-3-2-8(7-12)10(6-9)16(14,15)13-4-1-5-13/h2-3,6H,1,4-5,7,12H2
InChIKeyKQSMXPAMFSEEPX-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.68
Rot. Bonds3

About [2-(azetidin-1-ylsulfonyl)-4-fluorophenyl]methanamine

[2-(azetidin-1-ylsulfonyl)-4-fluorophenyl]methanamine (PubChem CID 21069824) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is [2-(azetidin-1-ylsulfonyl)-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(azetidin-1-ylsulfonyl)-4-fluorophenyl]methanamine
PubChem CID21069824
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name[2-(azetidin-1-ylsulfonyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)cc1S(=O)(=O)N1CCC1
InChIInChI=1S/C10H13FN2O2S/c11-9-3-2-8(7-12)10(6-9)16(14,15)13-4-1-5-13/h2-3,6H,1,4-5,7,12H2
InChIKeyKQSMXPAMFSEEPX-UHFFFAOYSA-N
XLogP0.68
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-1-ylsulfonyl)-4-fluorophenyl]methanamine?
The IUPAC name of [2-(azetidin-1-ylsulfonyl)-4-fluorophenyl]methanamine (CID 21069824) is [2-(azetidin-1-ylsulfonyl)-4-fluorophenyl]methanamine.
What is the SMILES notation for [2-(azetidin-1-ylsulfonyl)-4-fluorophenyl]methanamine?
The canonical SMILES for [2-(azetidin-1-ylsulfonyl)-4-fluorophenyl]methanamine is NCc1ccc(F)cc1S(=O)(=O)N1CCC1.
What is the InChIKey of [2-(azetidin-1-ylsulfonyl)-4-fluorophenyl]methanamine?
The InChIKey is KQSMXPAMFSEEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c11-9-3-2-8(7-12)10(6-9)16(14,15)13-4-1-5-13/h2-3,6H,1,4-5,7,12H2.
What are the key properties of [2-(azetidin-1-ylsulfonyl)-4-fluorophenyl]methanamine?
[2-(azetidin-1-ylsulfonyl)-4-fluorophenyl]methanamine has a molecular weight of 244.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azetidin-1-ylsulfonyl)-4-fluorophenyl]methanamine is sourced from PubChem (CID 21069824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).