N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C16H11ClF2N4O2S — CID 171347099

IUPACN-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESNc1ccc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3F)c2)cn1
InChIInChI=1S/C16H11ClF2N4O2S/c17-16-13(5-10(8-22-16)9-1-4-15(20)21-7-9)23-26(24,25)14-3-2-11(18)6-12(14)19/h1-8,23H,(H2,20,21)
InChIKeyGDNCGENAWKFRCG-UHFFFAOYSA-N
MW396.81 g/mol
LogP3.46
Rot. Bonds4

About N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 171347099) has the molecular formula C16H11ClF2N4O2S and a molecular weight of 396.81 g/mol. Its IUPAC name is N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID171347099
Molecular FormulaC16H11ClF2N4O2S
Molecular Weight396.81 g/mol
Exact Mass396.03
IUPAC NameN-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESNc1ccc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3F)c2)cn1
InChIInChI=1S/C16H11ClF2N4O2S/c17-16-13(5-10(8-22-16)9-1-4-15(20)21-7-9)23-26(24,25)14-3-2-11(18)6-12(14)19/h1-8,23H,(H2,20,21)
InChIKeyGDNCGENAWKFRCG-UHFFFAOYSA-N
XLogP3.46
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 53.46
H-Bond Donors ≤ 52
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-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 171347099) is N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide is Nc1ccc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3F)c2)cn1.
What is the InChIKey of N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is GDNCGENAWKFRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N4O2S/c17-16-13(5-10(8-22-16)9-1-4-15(20)21-7-9)23-26(24,25)14-3-2-11(18)6-12(14)19/h1-8,23H,(H2,20,21).
What are the key properties of N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 396.81 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 171347099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).