N-(cyclobutylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanesulfonamide

C12H17F3N4O2S — CID 56785580

IUPACN-(cyclobutylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanesulfonamide
SMILESO=S(=O)(CCNc1nccc(C(F)(F)F)n1)NCC1CCC1
InChIInChI=1S/C12H17F3N4O2S/c13-12(14,15)10-4-5-16-11(19-10)17-6-7-22(20,21)18-8-9-2-1-3-9/h4-5,9,18H,1-3,6-8H2,(H,16,17,19)
InChIKeyWTTNSYPYKWSMHN-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.63
Rot. Bonds7

About N-(cyclobutylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanesulfonamide

N-(cyclobutylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanesulfonamide (PubChem CID 56785580) has the molecular formula C12H17F3N4O2S and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanesulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanesulfonamide
PubChem CID56785580
Molecular FormulaC12H17F3N4O2S
Molecular Weight338.36 g/mol
Exact Mass338.10
IUPAC NameN-(cyclobutylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanesulfonamide
SMILESO=S(=O)(CCNc1nccc(C(F)(F)F)n1)NCC1CCC1
InChIInChI=1S/C12H17F3N4O2S/c13-12(14,15)10-4-5-16-11(19-10)17-6-7-22(20,21)18-8-9-2-1-3-9/h4-5,9,18H,1-3,6-8H2,(H,16,17,19)
InChIKeyWTTNSYPYKWSMHN-UHFFFAOYSA-N
XLogP1.63
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanesulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanesulfonamide (CID 56785580) is N-(cyclobutylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanesulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanesulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanesulfonamide is O=S(=O)(CCNc1nccc(C(F)(F)F)n1)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanesulfonamide?
The InChIKey is WTTNSYPYKWSMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2S/c13-12(14,15)10-4-5-16-11(19-10)17-6-7-22(20,21)18-8-9-2-1-3-9/h4-5,9,18H,1-3,6-8H2,(H,16,17,19).
What are the key properties of N-(cyclobutylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanesulfonamide?
N-(cyclobutylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanesulfonamide has a molecular weight of 338.36 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanesulfonamide is sourced from PubChem (CID 56785580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).