2-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide

C6H5ClF3N3O2S — CID 43456453

IUPAC2-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1cnc(Cl)nc1
InChIInChI=1S/C6H5ClF3N3O2S/c7-5-11-1-4(2-12-5)16(14,15)13-3-6(8,9)10/h1-2,13H,3H2
InChIKeyXGYXYEOMXAMVAW-UHFFFAOYSA-N
MW275.64 g/mol
LogP0.97
Rot. Bonds3

About 2-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide

2-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide (PubChem CID 43456453) has the molecular formula C6H5ClF3N3O2S and a molecular weight of 275.64 g/mol. Its IUPAC name is 2-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
PubChem CID43456453
Molecular FormulaC6H5ClF3N3O2S
Molecular Weight275.64 g/mol
Exact Mass274.97
IUPAC Name2-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1cnc(Cl)nc1
InChIInChI=1S/C6H5ClF3N3O2S/c7-5-11-1-4(2-12-5)16(14,15)13-3-6(8,9)10/h1-2,13H,3H2
InChIKeyXGYXYEOMXAMVAW-UHFFFAOYSA-N
XLogP0.97
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.64
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide (CID 43456453) is 2-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide is O=S(=O)(NCC(F)(F)F)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
The InChIKey is XGYXYEOMXAMVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF3N3O2S/c7-5-11-1-4(2-12-5)16(14,15)13-3-6(8,9)10/h1-2,13H,3H2.
What are the key properties of 2-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
2-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide has a molecular weight of 275.64 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 43456453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).