5-chloro-6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide

C9H11ClF3N3O2S — CID 64602290

IUPAC5-chloro-6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCCC(F)(F)F)cc1Cl
InChIInChI=1S/C9H11ClF3N3O2S/c1-14-8-7(10)4-6(5-15-8)19(17,18)16-3-2-9(11,12)13/h4-5,16H,2-3H2,1H3,(H,14,15)
InChIKeyZUSZBEXXWZZFSG-UHFFFAOYSA-N
MW317.72 g/mol
LogP2.01
Rot. Bonds5

About 5-chloro-6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide

5-chloro-6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide (PubChem CID 64602290) has the molecular formula C9H11ClF3N3O2S and a molecular weight of 317.72 g/mol. Its IUPAC name is 5-chloro-6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide
PubChem CID64602290
Molecular FormulaC9H11ClF3N3O2S
Molecular Weight317.72 g/mol
Exact Mass317.02
IUPAC Name5-chloro-6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCCC(F)(F)F)cc1Cl
InChIInChI=1S/C9H11ClF3N3O2S/c1-14-8-7(10)4-6(5-15-8)19(17,18)16-3-2-9(11,12)13/h4-5,16H,2-3H2,1H3,(H,14,15)
InChIKeyZUSZBEXXWZZFSG-UHFFFAOYSA-N
XLogP2.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.72
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide (CID 64602290) is 5-chloro-6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide is CNc1ncc(S(=O)(=O)NCCC(F)(F)F)cc1Cl.
What is the InChIKey of 5-chloro-6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide?
The InChIKey is ZUSZBEXXWZZFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3O2S/c1-14-8-7(10)4-6(5-15-8)19(17,18)16-3-2-9(11,12)13/h4-5,16H,2-3H2,1H3,(H,14,15).
What are the key properties of 5-chloro-6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide?
5-chloro-6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide has a molecular weight of 317.72 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64602290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).