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

C8H9ClF3N3O2S — CID 55010752

IUPAC2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C8H9ClF3N3O2S/c1-2-15(5-8(10,11)12)18(16,17)6-3-13-7(9)14-4-6/h3-4H,2,5H2,1H3
InChIKeyKVDFCGRXSWSEBD-UHFFFAOYSA-N
MW303.69 g/mol
LogP1.70
Rot. Bonds4

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

2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide (PubChem CID 55010752) has the molecular formula C8H9ClF3N3O2S and a molecular weight of 303.69 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
PubChem CID55010752
Molecular FormulaC8H9ClF3N3O2S
Molecular Weight303.69 g/mol
Exact Mass303.01
IUPAC Name2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C8H9ClF3N3O2S/c1-2-15(5-8(10,11)12)18(16,17)6-3-13-7(9)14-4-6/h3-4H,2,5H2,1H3
InChIKeyKVDFCGRXSWSEBD-UHFFFAOYSA-N
XLogP1.70
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.69
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide (CID 55010752) is 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
The InChIKey is KVDFCGRXSWSEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3O2S/c1-2-15(5-8(10,11)12)18(16,17)6-3-13-7(9)14-4-6/h3-4H,2,5H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide has a molecular weight of 303.69 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 55010752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).