6-amino-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

C10H13ClF3N3O2S — CID 64600311

IUPAC6-amino-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C10H13ClF3N3O2S/c1-2-3-17(6-10(12,13)14)20(18,19)7-4-8(11)9(15)16-5-7/h4-5H,2-3,6H2,1H3,(H2,15,16)
InChIKeyMDFWEQMXGOOEFD-UHFFFAOYSA-N
MW331.75 g/mol
LogP2.28
Rot. Bonds5

About 6-amino-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide

6-amino-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (PubChem CID 64600311) has the molecular formula C10H13ClF3N3O2S and a molecular weight of 331.75 g/mol. Its IUPAC name is 6-amino-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
PubChem CID64600311
Molecular FormulaC10H13ClF3N3O2S
Molecular Weight331.75 g/mol
Exact Mass331.04
IUPAC Name6-amino-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C10H13ClF3N3O2S/c1-2-3-17(6-10(12,13)14)20(18,19)7-4-8(11)9(15)16-5-7/h4-5H,2-3,6H2,1H3,(H2,15,16)
InChIKeyMDFWEQMXGOOEFD-UHFFFAOYSA-N
XLogP2.28
TPSA76.29 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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide (CID 64600311) is 6-amino-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)c1cnc(N)c(Cl)c1.
What is the InChIKey of 6-amino-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
The InChIKey is MDFWEQMXGOOEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O2S/c1-2-3-17(6-10(12,13)14)20(18,19)7-4-8(11)9(15)16-5-7/h4-5H,2-3,6H2,1H3,(H2,15,16).
What are the key properties of 6-amino-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide?
6-amino-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide has a molecular weight of 331.75 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64600311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).