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

C18H16ClFN4O2S — CID 134306927

IUPAC6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]pyridine-2-sulfonamide
SMILESCc1cccc(C)c1-c1nc(NS(=O)(=O)c2cccc(N)n2)c(F)cc1Cl
InChIInChI=1S/C18H16ClFN4O2S/c1-10-5-3-6-11(2)16(10)17-12(19)9-13(20)18(23-17)24-27(25,26)15-8-4-7-14(21)22-15/h3-9H,1-2H3,(H2,21,22)(H,23,24)
InChIKeyNUQBBZHVHHXTJW-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.94
Rot. Bonds4

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

6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]pyridine-2-sulfonamide (PubChem CID 134306927) has the molecular formula C18H16ClFN4O2S and a molecular weight of 406.87 g/mol. Its IUPAC name is 6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]pyridine-2-sulfonamide
PubChem CID134306927
Molecular FormulaC18H16ClFN4O2S
Molecular Weight406.87 g/mol
Exact Mass406.07
IUPAC Name6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]pyridine-2-sulfonamide
SMILESCc1cccc(C)c1-c1nc(NS(=O)(=O)c2cccc(N)n2)c(F)cc1Cl
InChIInChI=1S/C18H16ClFN4O2S/c1-10-5-3-6-11(2)16(10)17-12(19)9-13(20)18(23-17)24-27(25,26)15-8-4-7-14(21)22-15/h3-9H,1-2H3,(H2,21,22)(H,23,24)
InChIKeyNUQBBZHVHHXTJW-UHFFFAOYSA-N
XLogP3.94
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.94
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-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]pyridine-2-sulfonamide?
The IUPAC name of 6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]pyridine-2-sulfonamide (CID 134306927) is 6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]pyridine-2-sulfonamide.
What is the SMILES notation for 6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]pyridine-2-sulfonamide?
The canonical SMILES for 6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]pyridine-2-sulfonamide is Cc1cccc(C)c1-c1nc(NS(=O)(=O)c2cccc(N)n2)c(F)cc1Cl.
What is the InChIKey of 6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]pyridine-2-sulfonamide?
The InChIKey is NUQBBZHVHHXTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O2S/c1-10-5-3-6-11(2)16(10)17-12(19)9-13(20)18(23-17)24-27(25,26)15-8-4-7-14(21)22-15/h3-9H,1-2H3,(H2,21,22)(H,23,24).
What are the key properties of 6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]pyridine-2-sulfonamide?
6-amino-N-[5-chloro-6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]pyridine-2-sulfonamide has a molecular weight of 406.87 g/mol, XLogP of 3.94, 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-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]pyridine-2-sulfonamide is sourced from PubChem (CID 134306927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).