2-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide

C7H8F3N3O2S — CID 68760263

IUPAC2-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide
SMILESC[C@@H](c1ncc(S(N)(=O)=O)cn1)C(F)(F)F
InChIInChI=1S/C7H8F3N3O2S/c1-4(7(8,9)10)6-12-2-5(3-13-6)16(11,14)15/h2-4H,1H3,(H2,11,14,15)/t4-/m0/s1
InChIKeyJJPUGDXBAGORIH-BYPYZUCNSA-N
MW255.22 g/mol
LogP0.79
Rot. Bonds2

About 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide

2-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide (PubChem CID 68760263) has the molecular formula C7H8F3N3O2S and a molecular weight of 255.22 g/mol. Its IUPAC name is 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide
PubChem CID68760263
Molecular FormulaC7H8F3N3O2S
Molecular Weight255.22 g/mol
Exact Mass255.03
IUPAC Name2-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide
SMILESC[C@@H](c1ncc(S(N)(=O)=O)cn1)C(F)(F)F
InChIInChI=1S/C7H8F3N3O2S/c1-4(7(8,9)10)6-12-2-5(3-13-6)16(11,14)15/h2-4H,1H3,(H2,11,14,15)/t4-/m0/s1
InChIKeyJJPUGDXBAGORIH-BYPYZUCNSA-N
XLogP0.79
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide (CID 68760263) is 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide is C[C@@H](c1ncc(S(N)(=O)=O)cn1)C(F)(F)F.
What is the InChIKey of 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide?
The InChIKey is JJPUGDXBAGORIH-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H8F3N3O2S/c1-4(7(8,9)10)6-12-2-5(3-13-6)16(11,14)15/h2-4H,1H3,(H2,11,14,15)/t4-/m0/s1.
What are the key properties of 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide?
2-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide has a molecular weight of 255.22 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 68760263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).