6-amino-N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-3-fluoropyridine-2-sulfonamide

C17H14ClFN4O2S — CID 134306384

IUPAC6-amino-N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-3-fluoropyridine-2-sulfonamide
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2nc(N)ccc2F)ccc1Cl
InChIInChI=1S/C17H14ClFN4O2S/c1-10-4-2-3-5-11(10)16-12(18)6-9-15(22-16)23-26(24,25)17-13(19)7-8-14(20)21-17/h2-9H,1H3,(H2,20,21)(H,22,23)
InChIKeyFHZUBYSTKSNGTL-UHFFFAOYSA-N
MW392.84 g/mol
LogP3.63
Rot. Bonds4

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

6-amino-N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-3-fluoropyridine-2-sulfonamide (PubChem CID 134306384) has the molecular formula C17H14ClFN4O2S and a molecular weight of 392.84 g/mol. Its IUPAC name is 6-amino-N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-3-fluoropyridine-2-sulfonamide
PubChem CID134306384
Molecular FormulaC17H14ClFN4O2S
Molecular Weight392.84 g/mol
Exact Mass392.05
IUPAC Name6-amino-N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-3-fluoropyridine-2-sulfonamide
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2nc(N)ccc2F)ccc1Cl
InChIInChI=1S/C17H14ClFN4O2S/c1-10-4-2-3-5-11(10)16-12(18)6-9-15(22-16)23-26(24,25)17-13(19)7-8-14(20)21-17/h2-9H,1H3,(H2,20,21)(H,22,23)
InChIKeyFHZUBYSTKSNGTL-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-(2-methylphenyl)-2-pyridinyl]-3-fluoropyridine-2-sulfonamide?
The IUPAC name of 6-amino-N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-3-fluoropyridine-2-sulfonamide (CID 134306384) is 6-amino-N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for 6-amino-N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for 6-amino-N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-3-fluoropyridine-2-sulfonamide is Cc1ccccc1-c1nc(NS(=O)(=O)c2nc(N)ccc2F)ccc1Cl.
What is the InChIKey of 6-amino-N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-3-fluoropyridine-2-sulfonamide?
The InChIKey is FHZUBYSTKSNGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O2S/c1-10-4-2-3-5-11(10)16-12(18)6-9-15(22-16)23-26(24,25)17-13(19)7-8-14(20)21-17/h2-9H,1H3,(H2,20,21)(H,22,23).
What are the key properties of 6-amino-N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-3-fluoropyridine-2-sulfonamide?
6-amino-N-[5-chloro-6-(2-methylphenyl)-2-pyridinyl]-3-fluoropyridine-2-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-(2-methylphenyl)-2-pyridinyl]-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 134306384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).