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

C16H12ClFN4O2S — CID 171354695

IUPACN-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESNc1ccc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cn1
InChIInChI=1S/C16H12ClFN4O2S/c17-16-14(22-25(23,24)13-4-2-12(18)3-5-13)7-11(9-21-16)10-1-6-15(19)20-8-10/h1-9,22H,(H2,19,20)
InChIKeyPGFKHXBTHKHMAV-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.32
Rot. Bonds4

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

N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 171354695) has the molecular formula C16H12ClFN4O2S and a molecular weight of 378.82 g/mol. Its IUPAC name is N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID171354695
Molecular FormulaC16H12ClFN4O2S
Molecular Weight378.82 g/mol
Exact Mass378.04
IUPAC NameN-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESNc1ccc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cn1
InChIInChI=1S/C16H12ClFN4O2S/c17-16-14(22-25(23,24)13-4-2-12(18)3-5-13)7-11(9-21-16)10-1-6-15(19)20-8-10/h1-9,22H,(H2,19,20)
InChIKeyPGFKHXBTHKHMAV-UHFFFAOYSA-N
XLogP3.32
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.32
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]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 171354695) is N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide is Nc1ccc(-c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cn1.
What is the InChIKey of N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is PGFKHXBTHKHMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O2S/c17-16-14(22-25(23,24)13-4-2-12(18)3-5-13)7-11(9-21-16)10-1-6-15(19)20-8-10/h1-9,22H,(H2,19,20).
What are the key properties of N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 378.82 g/mol, XLogP of 3.32, 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]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 171354695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).