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

C7H8F3N3O2S — CID 67616179

IUPACN-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cncnc1)C(F)(F)F
InChIInChI=1S/C7H8F3N3O2S/c1-5(7(8,9)10)13-16(14,15)6-2-11-4-12-3-6/h2-5,13H,1H3/t5-/m1/s1
InChIKeyJRJYMDDLZBVUJX-RXMQYKEDSA-N
MW255.22 g/mol
LogP0.71
Rot. Bonds3

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

N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide (PubChem CID 67616179) has the molecular formula C7H8F3N3O2S and a molecular weight of 255.22 g/mol. Its IUPAC name is N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide
PubChem CID67616179
Molecular FormulaC7H8F3N3O2S
Molecular Weight255.22 g/mol
Exact Mass255.03
IUPAC NameN-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cncnc1)C(F)(F)F
InChIInChI=1S/C7H8F3N3O2S/c1-5(7(8,9)10)13-16(14,15)6-2-11-4-12-3-6/h2-5,13H,1H3/t5-/m1/s1
InChIKeyJRJYMDDLZBVUJX-RXMQYKEDSA-N
XLogP0.71
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide?
The IUPAC name of N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide (CID 67616179) is N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide?
The canonical SMILES for N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide is C[C@@H](NS(=O)(=O)c1cncnc1)C(F)(F)F.
What is the InChIKey of N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide?
The InChIKey is JRJYMDDLZBVUJX-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H8F3N3O2S/c1-5(7(8,9)10)13-16(14,15)6-2-11-4-12-3-6/h2-5,13H,1H3/t5-/m1/s1.
What are the key properties of N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide?
N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide has a molecular weight of 255.22 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 67616179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).