N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide

C18H12ClF2N3O2S — CID 163919489

IUPACN-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide
SMILESC=Cc1ccc(F)cc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1Cl
InChIInChI=1S/C18H12ClF2N3O2S/c1-2-11-6-7-12(20)10-13(11)18-14(19)8-9-16(23-18)24-27(25,26)17-5-3-4-15(21)22-17/h2-10H,1H2,(H,23,24)
InChIKeyJSPIDPCHSZOFJW-UHFFFAOYSA-N
MW407.83 g/mol
LogP4.52
Rot. Bonds5

About N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide

N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide (PubChem CID 163919489) has the molecular formula C18H12ClF2N3O2S and a molecular weight of 407.83 g/mol. Its IUPAC name is N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide
PubChem CID163919489
Molecular FormulaC18H12ClF2N3O2S
Molecular Weight407.83 g/mol
Exact Mass407.03
IUPAC NameN-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide
SMILESC=Cc1ccc(F)cc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1Cl
InChIInChI=1S/C18H12ClF2N3O2S/c1-2-11-6-7-12(20)10-13(11)18-14(19)8-9-16(23-18)24-27(25,26)17-5-3-4-15(21)22-17/h2-10H,1H2,(H,23,24)
InChIKeyJSPIDPCHSZOFJW-UHFFFAOYSA-N
XLogP4.52
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.83
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(Pyridin-2-yl) arylsulfonamide, 19
CID 44143308
N-(Pyridin-2-yl) arylsulfonamide, 20
CID 44143309
N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 171347099
4-fluoro-N-[5-(4-fluoro-2-methylphenyl)-6-methyl-2-pyridinyl]benzenesulfonamide
CID 11523645
3-chloro-N-[6-(3-fluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide
CID 11545309
5-fluoro-N-[5-(3-fluorophenyl)-6-methyl-2-pyridinyl]-2-methylbenzenesulfonamide
CID 11552515
N-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 11553722
3-chloro-N-[6-(2-fluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide
CID 11559857
N-[5-(2,4-dichlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 11575135
3-chloro-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-2-methylbenzenesulfonamide
CID 11581993
N-[5-(2-chlorophenyl)-6-methylpyridin-2-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11582694
N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 11595965

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide?
The IUPAC name of N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide (CID 163919489) is N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide is C=Cc1ccc(F)cc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1Cl.
What is the InChIKey of N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide?
The InChIKey is JSPIDPCHSZOFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N3O2S/c1-2-11-6-7-12(20)10-13(11)18-14(19)8-9-16(23-18)24-27(25,26)17-5-3-4-15(21)22-17/h2-10H,1H2,(H,23,24).
What are the key properties of N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide?
N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide has a molecular weight of 407.83 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 163919489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).