N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide

C18H16ClFN4O2S — CID 134344511

IUPACN-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide
SMILESCC(C)c1ncccc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1Cl
InChIInChI=1S/C18H16ClFN4O2S/c1-11(2)17-12(5-4-10-21-17)18-13(19)8-9-15(23-18)24-27(25,26)16-7-3-6-14(20)22-16/h3-11H,1-2H3,(H,23,24)
InChIKeyYMOQAZFBTCYSNQ-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.26
Rot. Bonds5

About N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide

N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide (PubChem CID 134344511) has the molecular formula C18H16ClFN4O2S and a molecular weight of 406.87 g/mol. Its IUPAC name is N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide
PubChem CID134344511
Molecular FormulaC18H16ClFN4O2S
Molecular Weight406.87 g/mol
Exact Mass406.07
IUPAC NameN-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide
SMILESCC(C)c1ncccc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1Cl
InChIInChI=1S/C18H16ClFN4O2S/c1-11(2)17-12(5-4-10-21-17)18-13(19)8-9-15(23-18)24-27(25,26)16-7-3-6-14(20)22-16/h3-11H,1-2H3,(H,23,24)
InChIKeyYMOQAZFBTCYSNQ-UHFFFAOYSA-N
XLogP4.26
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide?
The IUPAC name of N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide (CID 134344511) is N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide is CC(C)c1ncccc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1Cl.
What is the InChIKey of N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide?
The InChIKey is YMOQAZFBTCYSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O2S/c1-11(2)17-12(5-4-10-21-17)18-13(19)8-9-15(23-18)24-27(25,26)16-7-3-6-14(20)22-16/h3-11H,1-2H3,(H,23,24).
What are the key properties of N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide?
N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide has a molecular weight of 406.87 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(2-propan-2-yl-3-pyridinyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 134344511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).