6-amino-N-[5-chloro-6-(2,3,6-trifluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide

C16H10ClF3N4O2S — CID 134306449

IUPAC6-amino-N-[5-chloro-6-(2,3,6-trifluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccc(Cl)c(-c3c(F)ccc(F)c3F)n2)n1
InChIInChI=1S/C16H10ClF3N4O2S/c17-8-4-7-12(24-27(25,26)13-3-1-2-11(21)22-13)23-16(8)14-9(18)5-6-10(19)15(14)20/h1-7H,(H2,21,22)(H,23,24)
InChIKeyARBUZRKMAMNMBQ-UHFFFAOYSA-N
MW414.80 g/mol
LogP3.60
Rot. Bonds4

About 6-amino-N-[5-chloro-6-(2,3,6-trifluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide

6-amino-N-[5-chloro-6-(2,3,6-trifluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide (PubChem CID 134306449) has the molecular formula C16H10ClF3N4O2S and a molecular weight of 414.80 g/mol. Its IUPAC name is 6-amino-N-[5-chloro-6-(2,3,6-trifluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[5-chloro-6-(2,3,6-trifluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide
PubChem CID134306449
Molecular FormulaC16H10ClF3N4O2S
Molecular Weight414.80 g/mol
Exact Mass414.02
IUPAC Name6-amino-N-[5-chloro-6-(2,3,6-trifluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccc(Cl)c(-c3c(F)ccc(F)c3F)n2)n1
InChIInChI=1S/C16H10ClF3N4O2S/c17-8-4-7-12(24-27(25,26)13-3-1-2-11(21)22-13)23-16(8)14-9(18)5-6-10(19)15(14)20/h1-7H,(H2,21,22)(H,23,24)
InChIKeyARBUZRKMAMNMBQ-UHFFFAOYSA-N
XLogP3.60
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.80
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[5-chloro-6-(2,3,6-trifluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide?
The IUPAC name of 6-amino-N-[5-chloro-6-(2,3,6-trifluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide (CID 134306449) is 6-amino-N-[5-chloro-6-(2,3,6-trifluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide.
What is the SMILES notation for 6-amino-N-[5-chloro-6-(2,3,6-trifluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide?
The canonical SMILES for 6-amino-N-[5-chloro-6-(2,3,6-trifluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide is Nc1cccc(S(=O)(=O)Nc2ccc(Cl)c(-c3c(F)ccc(F)c3F)n2)n1.
What is the InChIKey of 6-amino-N-[5-chloro-6-(2,3,6-trifluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide?
The InChIKey is ARBUZRKMAMNMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4O2S/c17-8-4-7-12(24-27(25,26)13-3-1-2-11(21)22-13)23-16(8)14-9(18)5-6-10(19)15(14)20/h1-7H,(H2,21,22)(H,23,24).
What are the key properties of 6-amino-N-[5-chloro-6-(2,3,6-trifluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide?
6-amino-N-[5-chloro-6-(2,3,6-trifluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide has a molecular weight of 414.80 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[5-chloro-6-(2,3,6-trifluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide is sourced from PubChem (CID 134306449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).