5-chloro-N-cyclopropyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

C11H13ClF3N3O2S — CID 64599920

IUPAC5-chloro-N-cyclopropyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)N(CC(F)(F)F)C2CC2)cc1Cl
InChIInChI=1S/C11H13ClF3N3O2S/c1-16-10-9(12)4-8(5-17-10)21(19,20)18(7-2-3-7)6-11(13,14)15/h4-5,7H,2-3,6H2,1H3,(H,16,17)
InChIKeyTYAMDDUXQBWFRU-UHFFFAOYSA-N
MW343.76 g/mol
LogP2.49
Rot. Bonds5

About 5-chloro-N-cyclopropyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

5-chloro-N-cyclopropyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (PubChem CID 64599920) has the molecular formula C11H13ClF3N3O2S and a molecular weight of 343.76 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
PubChem CID64599920
Molecular FormulaC11H13ClF3N3O2S
Molecular Weight343.76 g/mol
Exact Mass343.04
IUPAC Name5-chloro-N-cyclopropyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)N(CC(F)(F)F)C2CC2)cc1Cl
InChIInChI=1S/C11H13ClF3N3O2S/c1-16-10-9(12)4-8(5-17-10)21(19,20)18(7-2-3-7)6-11(13,14)15/h4-5,7H,2-3,6H2,1H3,(H,16,17)
InChIKeyTYAMDDUXQBWFRU-UHFFFAOYSA-N
XLogP2.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.76
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-cyclopropyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (CID 64599920) is 5-chloro-N-cyclopropyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is CNc1ncc(S(=O)(=O)N(CC(F)(F)F)C2CC2)cc1Cl.
What is the InChIKey of 5-chloro-N-cyclopropyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The InChIKey is TYAMDDUXQBWFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O2S/c1-16-10-9(12)4-8(5-17-10)21(19,20)18(7-2-3-7)6-11(13,14)15/h4-5,7H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-cyclopropyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
5-chloro-N-cyclopropyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide has a molecular weight of 343.76 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64599920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).