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

C9H9ClF3N3O2S — CID 55010849

IUPAC2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
SMILESO=S(=O)(c1cnc(Cl)nc1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H9ClF3N3O2S/c10-8-14-3-7(4-15-8)19(17,18)16(6-1-2-6)5-9(11,12)13/h3-4,6H,1-2,5H2
InChIKeyMZKHDLNSZKVJAF-UHFFFAOYSA-N
MW315.70 g/mol
LogP1.85
Rot. Bonds4

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

2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide (PubChem CID 55010849) has the molecular formula C9H9ClF3N3O2S and a molecular weight of 315.70 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
PubChem CID55010849
Molecular FormulaC9H9ClF3N3O2S
Molecular Weight315.70 g/mol
Exact Mass315.01
IUPAC Name2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
SMILESO=S(=O)(c1cnc(Cl)nc1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C9H9ClF3N3O2S/c10-8-14-3-7(4-15-8)19(17,18)16(6-1-2-6)5-9(11,12)13/h3-4,6H,1-2,5H2
InChIKeyMZKHDLNSZKVJAF-UHFFFAOYSA-N
XLogP1.85
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.70
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide (CID 55010849) is 2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide is O=S(=O)(c1cnc(Cl)nc1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
The InChIKey is MZKHDLNSZKVJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N3O2S/c10-8-14-3-7(4-15-8)19(17,18)16(6-1-2-6)5-9(11,12)13/h3-4,6H,1-2,5H2.
What are the key properties of 2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide?
2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide has a molecular weight of 315.70 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 55010849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).