6-amino-N-[5-chloro-6-(2-chloro-6-fluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide

C16H11Cl2FN4O2S — CID 134306466

IUPAC6-amino-N-[5-chloro-6-(2-chloro-6-fluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccc(Cl)c(-c3c(F)cccc3Cl)n2)n1
InChIInChI=1S/C16H11Cl2FN4O2S/c17-9-3-1-4-11(19)15(9)16-10(18)7-8-13(22-16)23-26(24,25)14-6-2-5-12(20)21-14/h1-8H,(H2,20,21)(H,22,23)
InChIKeyMACHYFFUWWROSV-UHFFFAOYSA-N
MW413.26 g/mol
LogP3.97
Rot. Bonds4

About 6-amino-N-[5-chloro-6-(2-chloro-6-fluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide

6-amino-N-[5-chloro-6-(2-chloro-6-fluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide (PubChem CID 134306466) has the molecular formula C16H11Cl2FN4O2S and a molecular weight of 413.26 g/mol. Its IUPAC name is 6-amino-N-[5-chloro-6-(2-chloro-6-fluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[5-chloro-6-(2-chloro-6-fluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide
PubChem CID134306466
Molecular FormulaC16H11Cl2FN4O2S
Molecular Weight413.26 g/mol
Exact Mass412.00
IUPAC Name6-amino-N-[5-chloro-6-(2-chloro-6-fluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccc(Cl)c(-c3c(F)cccc3Cl)n2)n1
InChIInChI=1S/C16H11Cl2FN4O2S/c17-9-3-1-4-11(19)15(9)16-10(18)7-8-13(22-16)23-26(24,25)14-6-2-5-12(20)21-14/h1-8H,(H2,20,21)(H,22,23)
InChIKeyMACHYFFUWWROSV-UHFFFAOYSA-N
XLogP3.97
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.26
LogP ≤ 53.97
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-chloro-6-fluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide?
The IUPAC name of 6-amino-N-[5-chloro-6-(2-chloro-6-fluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide (CID 134306466) is 6-amino-N-[5-chloro-6-(2-chloro-6-fluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide.
What is the SMILES notation for 6-amino-N-[5-chloro-6-(2-chloro-6-fluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide?
The canonical SMILES for 6-amino-N-[5-chloro-6-(2-chloro-6-fluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide is Nc1cccc(S(=O)(=O)Nc2ccc(Cl)c(-c3c(F)cccc3Cl)n2)n1.
What is the InChIKey of 6-amino-N-[5-chloro-6-(2-chloro-6-fluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide?
The InChIKey is MACHYFFUWWROSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN4O2S/c17-9-3-1-4-11(19)15(9)16-10(18)7-8-13(22-16)23-26(24,25)14-6-2-5-12(20)21-14/h1-8H,(H2,20,21)(H,22,23).
What are the key properties of 6-amino-N-[5-chloro-6-(2-chloro-6-fluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide?
6-amino-N-[5-chloro-6-(2-chloro-6-fluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide has a molecular weight of 413.26 g/mol, XLogP of 3.97, 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-chloro-6-fluorophenyl)-2-pyridinyl]pyridine-2-sulfonamide is sourced from PubChem (CID 134306466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).