1-(1-fluorocyclopropyl)-N-(6-phenoxy-2-pyridinyl)methanesulfonamide

C15H15FN2O3S — CID 136569993

IUPAC1-(1-fluorocyclopropyl)-N-(6-phenoxy-2-pyridinyl)methanesulfonamide
SMILESO=S(=O)(CC1(F)CC1)Nc1cccc(Oc2ccccc2)n1
InChIInChI=1S/C15H15FN2O3S/c16-15(9-10-15)11-22(19,20)18-13-7-4-8-14(17-13)21-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,17,18)
InChIKeyBZCHSVLROMHSPI-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.12
Rot. Bonds6

About 1-(1-fluorocyclopropyl)-N-(6-phenoxy-2-pyridinyl)methanesulfonamide

1-(1-fluorocyclopropyl)-N-(6-phenoxy-2-pyridinyl)methanesulfonamide (PubChem CID 136569993) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-(1-fluorocyclopropyl)-N-(6-phenoxy-2-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Name1-(1-fluorocyclopropyl)-N-(6-phenoxy-2-pyridinyl)methanesulfonamide
PubChem CID136569993
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC Name1-(1-fluorocyclopropyl)-N-(6-phenoxy-2-pyridinyl)methanesulfonamide
SMILESO=S(=O)(CC1(F)CC1)Nc1cccc(Oc2ccccc2)n1
InChIInChI=1S/C15H15FN2O3S/c16-15(9-10-15)11-22(19,20)18-13-7-4-8-14(17-13)21-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,17,18)
InChIKeyBZCHSVLROMHSPI-UHFFFAOYSA-N
XLogP3.12
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluorocyclopropyl)-N-(6-phenoxy-2-pyridinyl)methanesulfonamide?
The IUPAC name of 1-(1-fluorocyclopropyl)-N-(6-phenoxy-2-pyridinyl)methanesulfonamide (CID 136569993) is 1-(1-fluorocyclopropyl)-N-(6-phenoxy-2-pyridinyl)methanesulfonamide.
What is the SMILES notation for 1-(1-fluorocyclopropyl)-N-(6-phenoxy-2-pyridinyl)methanesulfonamide?
The canonical SMILES for 1-(1-fluorocyclopropyl)-N-(6-phenoxy-2-pyridinyl)methanesulfonamide is O=S(=O)(CC1(F)CC1)Nc1cccc(Oc2ccccc2)n1.
What is the InChIKey of 1-(1-fluorocyclopropyl)-N-(6-phenoxy-2-pyridinyl)methanesulfonamide?
The InChIKey is BZCHSVLROMHSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c16-15(9-10-15)11-22(19,20)18-13-7-4-8-14(17-13)21-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,17,18).
What are the key properties of 1-(1-fluorocyclopropyl)-N-(6-phenoxy-2-pyridinyl)methanesulfonamide?
1-(1-fluorocyclopropyl)-N-(6-phenoxy-2-pyridinyl)methanesulfonamide has a molecular weight of 322.36 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluorocyclopropyl)-N-(6-phenoxy-2-pyridinyl)methanesulfonamide is sourced from PubChem (CID 136569993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).