4,5-dimethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyrimidine-2-sulfonamide

C14H13F4N3O2S — CID 175581067

IUPAC4,5-dimethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyrimidine-2-sulfonamide
SMILESCc1cnc(S(=O)(=O)NC(c2ccc(F)cc2)C(F)(F)F)nc1C
InChIInChI=1S/C14H13F4N3O2S/c1-8-7-19-13(20-9(8)2)24(22,23)21-12(14(16,17)18)10-3-5-11(15)6-4-10/h3-7,12,21H,1-2H3
InChIKeySSSZUNZZTXBFNI-UHFFFAOYSA-N
MW363.34 g/mol
LogP2.81
Rot. Bonds4

About 4,5-dimethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyrimidine-2-sulfonamide

4,5-dimethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyrimidine-2-sulfonamide (PubChem CID 175581067) has the molecular formula C14H13F4N3O2S and a molecular weight of 363.34 g/mol. Its IUPAC name is 4,5-dimethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyrimidine-2-sulfonamide
PubChem CID175581067
Molecular FormulaC14H13F4N3O2S
Molecular Weight363.34 g/mol
Exact Mass363.07
IUPAC Name4,5-dimethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyrimidine-2-sulfonamide
SMILESCc1cnc(S(=O)(=O)NC(c2ccc(F)cc2)C(F)(F)F)nc1C
InChIInChI=1S/C14H13F4N3O2S/c1-8-7-19-13(20-9(8)2)24(22,23)21-12(14(16,17)18)10-3-5-11(15)6-4-10/h3-7,12,21H,1-2H3
InChIKeySSSZUNZZTXBFNI-UHFFFAOYSA-N
XLogP2.81
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyrimidine-2-sulfonamide?
The IUPAC name of 4,5-dimethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyrimidine-2-sulfonamide (CID 175581067) is 4,5-dimethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyrimidine-2-sulfonamide.
What is the SMILES notation for 4,5-dimethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyrimidine-2-sulfonamide?
The canonical SMILES for 4,5-dimethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyrimidine-2-sulfonamide is Cc1cnc(S(=O)(=O)NC(c2ccc(F)cc2)C(F)(F)F)nc1C.
What is the InChIKey of 4,5-dimethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyrimidine-2-sulfonamide?
The InChIKey is SSSZUNZZTXBFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3O2S/c1-8-7-19-13(20-9(8)2)24(22,23)21-12(14(16,17)18)10-3-5-11(15)6-4-10/h3-7,12,21H,1-2H3.
What are the key properties of 4,5-dimethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyrimidine-2-sulfonamide?
4,5-dimethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyrimidine-2-sulfonamide has a molecular weight of 363.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]pyrimidine-2-sulfonamide is sourced from PubChem (CID 175581067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).