1-[[[3-(trifluoromethyl)-4-pyridinyl]amino]methyl]cyclobutane-1-sulfonamide

C11H14F3N3O2S — CID 138019654

IUPAC1-[[[3-(trifluoromethyl)-4-pyridinyl]amino]methyl]cyclobutane-1-sulfonamide
SMILESNS(=O)(=O)C1(CNc2ccncc2C(F)(F)F)CCC1
InChIInChI=1S/C11H14F3N3O2S/c12-11(13,14)8-6-16-5-2-9(8)17-7-10(3-1-4-10)20(15,18)19/h2,5-6H,1,3-4,7H2,(H,16,17)(H2,15,18,19)
InChIKeyURRMHWMTNDLNCR-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.72
Rot. Bonds4

About 1-[[[3-(trifluoromethyl)-4-pyridinyl]amino]methyl]cyclobutane-1-sulfonamide

1-[[[3-(trifluoromethyl)-4-pyridinyl]amino]methyl]cyclobutane-1-sulfonamide (PubChem CID 138019654) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is 1-[[[3-(trifluoromethyl)-4-pyridinyl]amino]methyl]cyclobutane-1-sulfonamide.

Molecular Properties

Compound Name1-[[[3-(trifluoromethyl)-4-pyridinyl]amino]methyl]cyclobutane-1-sulfonamide
PubChem CID138019654
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC Name1-[[[3-(trifluoromethyl)-4-pyridinyl]amino]methyl]cyclobutane-1-sulfonamide
SMILESNS(=O)(=O)C1(CNc2ccncc2C(F)(F)F)CCC1
InChIInChI=1S/C11H14F3N3O2S/c12-11(13,14)8-6-16-5-2-9(8)17-7-10(3-1-4-10)20(15,18)19/h2,5-6H,1,3-4,7H2,(H,16,17)(H2,15,18,19)
InChIKeyURRMHWMTNDLNCR-UHFFFAOYSA-N
XLogP1.72
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[[3-(trifluoromethyl)-4-pyridinyl]amino]methyl]cyclobutane-1-sulfonamide?
The IUPAC name of 1-[[[3-(trifluoromethyl)-4-pyridinyl]amino]methyl]cyclobutane-1-sulfonamide (CID 138019654) is 1-[[[3-(trifluoromethyl)-4-pyridinyl]amino]methyl]cyclobutane-1-sulfonamide.
What is the SMILES notation for 1-[[[3-(trifluoromethyl)-4-pyridinyl]amino]methyl]cyclobutane-1-sulfonamide?
The canonical SMILES for 1-[[[3-(trifluoromethyl)-4-pyridinyl]amino]methyl]cyclobutane-1-sulfonamide is NS(=O)(=O)C1(CNc2ccncc2C(F)(F)F)CCC1.
What is the InChIKey of 1-[[[3-(trifluoromethyl)-4-pyridinyl]amino]methyl]cyclobutane-1-sulfonamide?
The InChIKey is URRMHWMTNDLNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c12-11(13,14)8-6-16-5-2-9(8)17-7-10(3-1-4-10)20(15,18)19/h2,5-6H,1,3-4,7H2,(H,16,17)(H2,15,18,19).
What are the key properties of 1-[[[3-(trifluoromethyl)-4-pyridinyl]amino]methyl]cyclobutane-1-sulfonamide?
1-[[[3-(trifluoromethyl)-4-pyridinyl]amino]methyl]cyclobutane-1-sulfonamide has a molecular weight of 309.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-(trifluoromethyl)-4-pyridinyl]amino]methyl]cyclobutane-1-sulfonamide is sourced from PubChem (CID 138019654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).