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

C17H13ClF2N4O2S — CID 134306507

IUPAC6-amino-N-[5-chloro-6-[2-(difluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccc(Cl)c(-c3ccccc3C(F)F)n2)n1
InChIInChI=1S/C17H13ClF2N4O2S/c18-12-8-9-14(24-27(25,26)15-7-3-6-13(21)22-15)23-16(12)10-4-1-2-5-11(10)17(19)20/h1-9,17H,(H2,21,22)(H,23,24)
InChIKeyCXVSBYAPXIXPTD-UHFFFAOYSA-N
MW410.83 g/mol
LogP4.12
Rot. Bonds5

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

6-amino-N-[5-chloro-6-[2-(difluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide (PubChem CID 134306507) has the molecular formula C17H13ClF2N4O2S and a molecular weight of 410.83 g/mol. Its IUPAC name is 6-amino-N-[5-chloro-6-[2-(difluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[5-chloro-6-[2-(difluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide
PubChem CID134306507
Molecular FormulaC17H13ClF2N4O2S
Molecular Weight410.83 g/mol
Exact Mass410.04
IUPAC Name6-amino-N-[5-chloro-6-[2-(difluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide
SMILESNc1cccc(S(=O)(=O)Nc2ccc(Cl)c(-c3ccccc3C(F)F)n2)n1
InChIInChI=1S/C17H13ClF2N4O2S/c18-12-8-9-14(24-27(25,26)15-7-3-6-13(21)22-15)23-16(12)10-4-1-2-5-11(10)17(19)20/h1-9,17H,(H2,21,22)(H,23,24)
InChIKeyCXVSBYAPXIXPTD-UHFFFAOYSA-N
XLogP4.12
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.83
LogP ≤ 54.12
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-(difluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide?
The IUPAC name of 6-amino-N-[5-chloro-6-[2-(difluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide (CID 134306507) is 6-amino-N-[5-chloro-6-[2-(difluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide.
What is the SMILES notation for 6-amino-N-[5-chloro-6-[2-(difluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide?
The canonical SMILES for 6-amino-N-[5-chloro-6-[2-(difluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide is Nc1cccc(S(=O)(=O)Nc2ccc(Cl)c(-c3ccccc3C(F)F)n2)n1.
What is the InChIKey of 6-amino-N-[5-chloro-6-[2-(difluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide?
The InChIKey is CXVSBYAPXIXPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N4O2S/c18-12-8-9-14(24-27(25,26)15-7-3-6-13(21)22-15)23-16(12)10-4-1-2-5-11(10)17(19)20/h1-9,17H,(H2,21,22)(H,23,24).
What are the key properties of 6-amino-N-[5-chloro-6-[2-(difluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide?
6-amino-N-[5-chloro-6-[2-(difluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide has a molecular weight of 410.83 g/mol, XLogP of 4.12, 5 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-(difluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide is sourced from PubChem (CID 134306507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).