3-chloro-4-fluoro-N-[[5-(3-pyridin-4-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide

C19H16ClFN4O3S — CID 148774884

IUPAC3-chloro-4-fluoro-N-[[5-(3-pyridin-4-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide
SMILESO=C(CCc1ccncc1)c1cnc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C19H16ClFN4O3S/c20-16-9-15(2-3-17(16)21)29(27,28)25-11-14-10-24-18(12-23-14)19(26)4-1-13-5-7-22-8-6-13/h2-3,5-10,12,25H,1,4,11H2
InChIKeyOJDLQLBQUWGCNR-UHFFFAOYSA-N
MW434.88 g/mol
LogP2.96
Rot. Bonds8

About 3-chloro-4-fluoro-N-[[5-(3-pyridin-4-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide

3-chloro-4-fluoro-N-[[5-(3-pyridin-4-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide (PubChem CID 148774884) has the molecular formula C19H16ClFN4O3S and a molecular weight of 434.88 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[[5-(3-pyridin-4-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[[5-(3-pyridin-4-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide
PubChem CID148774884
Molecular FormulaC19H16ClFN4O3S
Molecular Weight434.88 g/mol
Exact Mass434.06
IUPAC Name3-chloro-4-fluoro-N-[[5-(3-pyridin-4-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide
SMILESO=C(CCc1ccncc1)c1cnc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C19H16ClFN4O3S/c20-16-9-15(2-3-17(16)21)29(27,28)25-11-14-10-24-18(12-23-14)19(26)4-1-13-5-7-22-8-6-13/h2-3,5-10,12,25H,1,4,11H2
InChIKeyOJDLQLBQUWGCNR-UHFFFAOYSA-N
XLogP2.96
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-fluoro-N-[[5-(3-pyridin-3-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide
CID 149272638
3-chloro-4-fluoro-N-[[5-(3-pyridin-2-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide
CID 147469704
3-chloro-4-fluoro-N-[[6-(3-pyridin-2-ylpropanoyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 149481631
3-chloro-4-fluoro-N-[[6-[3-(3-methoxyphenyl)propanoyl]-3-pyridinyl]methyl]benzenesulfonamide
CID 147583401
3-chloro-4-fluoro-N-[[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]methyl]benzenesulfonamide
CID 146725121
3-chloro-4-fluoro-N-[[6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyridazin-3-yl]methyl]benzenesulfonamide
CID 147427510
3-chloro-4-fluoro-N-[[5-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-2-pyridinyl]methyl]benzenesulfonamide
CID 146996521
3-chloro-N-[[5-[4-(dimethylamino)butanoyl]-2-pyridinyl]methyl]-4-fluorobenzenesulfonamide
CID 159087427
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
3-chloro-4-fluoro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 60587219
3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoic acid
CID 697756
4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 4882339

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[[5-(3-pyridin-4-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[[5-(3-pyridin-4-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide (CID 148774884) is 3-chloro-4-fluoro-N-[[5-(3-pyridin-4-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[[5-(3-pyridin-4-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[[5-(3-pyridin-4-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide is O=C(CCc1ccncc1)c1cnc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of 3-chloro-4-fluoro-N-[[5-(3-pyridin-4-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide?
The InChIKey is OJDLQLBQUWGCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O3S/c20-16-9-15(2-3-17(16)21)29(27,28)25-11-14-10-24-18(12-23-14)19(26)4-1-13-5-7-22-8-6-13/h2-3,5-10,12,25H,1,4,11H2.
What are the key properties of 3-chloro-4-fluoro-N-[[5-(3-pyridin-4-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[[5-(3-pyridin-4-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide has a molecular weight of 434.88 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[[5-(3-pyridin-4-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 148774884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).