N-[2-chloro-5-(1,7-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide

C19H12ClFN4O2S — CID 44608268

IUPACN-[2-chloro-5-(1,7-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cc3cccnc3cn2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C19H12ClFN4O2S/c20-19-17(25-28(26,27)15-5-3-14(21)4-6-15)9-13(10-24-19)16-8-12-2-1-7-22-18(12)11-23-16/h1-11,25H
InChIKeyNMNZLBWDJYTREC-UHFFFAOYSA-N
MW414.85 g/mol
LogP4.29
Rot. Bonds4

About N-[2-chloro-5-(1,7-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide

N-[2-chloro-5-(1,7-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 44608268) has the molecular formula C19H12ClFN4O2S and a molecular weight of 414.85 g/mol. Its IUPAC name is N-[2-chloro-5-(1,7-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(1,7-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID44608268
Molecular FormulaC19H12ClFN4O2S
Molecular Weight414.85 g/mol
Exact Mass414.04
IUPAC NameN-[2-chloro-5-(1,7-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cc3cccnc3cn2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C19H12ClFN4O2S/c20-19-17(25-28(26,27)15-5-3-14(21)4-6-15)9-13(10-24-19)16-8-12-2-1-7-22-18(12)11-23-16/h1-11,25H
InChIKeyNMNZLBWDJYTREC-UHFFFAOYSA-N
XLogP4.29
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 2169091
N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;ethane
CID 143915344
N-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 46913311
N-[2-chloro-5-(2,6-diaminopyrimidin-4-yl)-3-pyridinyl]benzenesulfonamide
CID 87554239
N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide
CID 53387738
N-[2-chloro-5-[3-(2-trimethylsilylethynyl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 86718338
N-[2-chloro-5-[4-(2-methoxyethoxy)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609700
N-[2-chloro-5-[3-(2-phenoxyethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44610480
N-(2-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 102976117
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150
4-fluoro-N-(6-methoxyquinolin-8-yl)benzenesulfonamide
CID 16604844
N-[2-chloro-5-[3-(4-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608118

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(1,7-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(1,7-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 44608268) is N-[2-chloro-5-(1,7-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(1,7-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(1,7-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(-c2cc3cccnc3cn2)cnc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[2-chloro-5-(1,7-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is NMNZLBWDJYTREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O2S/c20-19-17(25-28(26,27)15-5-3-14(21)4-6-15)9-13(10-24-19)16-8-12-2-1-7-22-18(12)11-23-16/h1-11,25H.
What are the key properties of N-[2-chloro-5-(1,7-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[2-chloro-5-(1,7-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 414.85 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(1,7-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 44608268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).