5-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

C10H13ClF3N3O2S — CID 64600303

IUPAC5-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)N(C)CC(F)(F)F)cc1Cl
InChIInChI=1S/C10H13ClF3N3O2S/c1-3-15-9-8(11)4-7(5-16-9)20(18,19)17(2)6-10(12,13)14/h4-5H,3,6H2,1-2H3,(H,15,16)
InChIKeyDOEVUXNBDQZUIE-UHFFFAOYSA-N
MW331.75 g/mol
LogP2.35
Rot. Bonds5

About 5-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

5-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (PubChem CID 64600303) has the molecular formula C10H13ClF3N3O2S and a molecular weight of 331.75 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
PubChem CID64600303
Molecular FormulaC10H13ClF3N3O2S
Molecular Weight331.75 g/mol
Exact Mass331.04
IUPAC Name5-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)N(C)CC(F)(F)F)cc1Cl
InChIInChI=1S/C10H13ClF3N3O2S/c1-3-15-9-8(11)4-7(5-16-9)20(18,19)17(2)6-10(12,13)14/h4-5H,3,6H2,1-2H3,(H,15,16)
InChIKeyDOEVUXNBDQZUIE-UHFFFAOYSA-N
XLogP2.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (CID 64600303) is 5-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is CCNc1ncc(S(=O)(=O)N(C)CC(F)(F)F)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The InChIKey is DOEVUXNBDQZUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O2S/c1-3-15-9-8(11)4-7(5-16-9)20(18,19)17(2)6-10(12,13)14/h4-5H,3,6H2,1-2H3,(H,15,16).
What are the key properties of 5-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
5-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide has a molecular weight of 331.75 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64600303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).