6-amino-N-[5-chloro-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyridine-3-sulfonamide

C17H14ClFN4O2S — CID 134306421

IUPAC6-amino-N-[5-chloro-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyridine-3-sulfonamide
SMILESCc1cc(F)ccc1-c1nc(NS(=O)(=O)c2ccc(N)nc2)ccc1Cl
InChIInChI=1S/C17H14ClFN4O2S/c1-10-8-11(19)2-4-13(10)17-14(18)5-7-16(22-17)23-26(24,25)12-3-6-15(20)21-9-12/h2-9H,1H3,(H2,20,21)(H,22,23)
InChIKeyLTQBGOSXYOMCNJ-UHFFFAOYSA-N
MW392.84 g/mol
LogP3.63
Rot. Bonds4

About 6-amino-N-[5-chloro-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyridine-3-sulfonamide

6-amino-N-[5-chloro-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyridine-3-sulfonamide (PubChem CID 134306421) has the molecular formula C17H14ClFN4O2S and a molecular weight of 392.84 g/mol. Its IUPAC name is 6-amino-N-[5-chloro-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[5-chloro-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyridine-3-sulfonamide
PubChem CID134306421
Molecular FormulaC17H14ClFN4O2S
Molecular Weight392.84 g/mol
Exact Mass392.05
IUPAC Name6-amino-N-[5-chloro-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyridine-3-sulfonamide
SMILESCc1cc(F)ccc1-c1nc(NS(=O)(=O)c2ccc(N)nc2)ccc1Cl
InChIInChI=1S/C17H14ClFN4O2S/c1-10-8-11(19)2-4-13(10)17-14(18)5-7-16(22-17)23-26(24,25)12-3-6-15(20)21-9-12/h2-9H,1H3,(H2,20,21)(H,22,23)
InChIKeyLTQBGOSXYOMCNJ-UHFFFAOYSA-N
XLogP3.63
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[5-chloro-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-[5-chloro-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyridine-3-sulfonamide (CID 134306421) is 6-amino-N-[5-chloro-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-[5-chloro-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-[5-chloro-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyridine-3-sulfonamide is Cc1cc(F)ccc1-c1nc(NS(=O)(=O)c2ccc(N)nc2)ccc1Cl.
What is the InChIKey of 6-amino-N-[5-chloro-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyridine-3-sulfonamide?
The InChIKey is LTQBGOSXYOMCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O2S/c1-10-8-11(19)2-4-13(10)17-14(18)5-7-16(22-17)23-26(24,25)12-3-6-15(20)21-9-12/h2-9H,1H3,(H2,20,21)(H,22,23).
What are the key properties of 6-amino-N-[5-chloro-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyridine-3-sulfonamide?
6-amino-N-[5-chloro-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyridine-3-sulfonamide has a molecular weight of 392.84 g/mol, XLogP of 3.63, 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-(4-fluoro-2-methylphenyl)-2-pyridinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 134306421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).