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

C19H16ClFN4O3S — CID 147469704

IUPAC3-chloro-4-fluoro-N-[[5-(3-pyridin-2-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide
SMILESO=C(CCc1ccccn1)c1cnc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C19H16ClFN4O3S/c20-16-9-15(5-6-17(16)21)29(27,28)25-11-14-10-24-18(12-23-14)19(26)7-4-13-3-1-2-8-22-13/h1-3,5-6,8-10,12,25H,4,7,11H2
InChIKeyFBNDXABDKUNSKI-UHFFFAOYSA-N
MW434.88 g/mol
LogP2.96
Rot. Bonds8

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

3-chloro-4-fluoro-N-[[5-(3-pyridin-2-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide (PubChem CID 147469704) 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-2-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[[5-(3-pyridin-2-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide
PubChem CID147469704
Molecular FormulaC19H16ClFN4O3S
Molecular Weight434.88 g/mol
Exact Mass434.06
IUPAC Name3-chloro-4-fluoro-N-[[5-(3-pyridin-2-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide
SMILESO=C(CCc1ccccn1)c1cnc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C19H16ClFN4O3S/c20-16-9-15(5-6-17(16)21)29(27,28)25-11-14-10-24-18(12-23-14)19(26)7-4-13-3-1-2-8-22-13/h1-3,5-6,8-10,12,25H,4,7,11H2
InChIKeyFBNDXABDKUNSKI-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-[[6-(3-pyridin-2-ylpropanoyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 149481631
3-chloro-4-fluoro-N-[[5-(3-pyridin-4-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide
CID 148774884
3-chloro-4-fluoro-N-[[5-(3-pyridin-3-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide
CID 149272638
4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 4882339
3-chloro-4-fluoro-N-[[6-[3-(3-methoxyphenyl)propanoyl]-3-pyridinyl]methyl]benzenesulfonamide
CID 147583401
3-chloro-4-fluoro-N-[[6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyridazin-3-yl]methyl]benzenesulfonamide
CID 147427510
5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110759353
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-4-fluoro-N-[[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]methyl]benzenesulfonamide
CID 146725121
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 63287946

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[[5-(3-pyridin-2-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[[5-(3-pyridin-2-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide (CID 147469704) is 3-chloro-4-fluoro-N-[[5-(3-pyridin-2-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[[5-(3-pyridin-2-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[[5-(3-pyridin-2-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide is O=C(CCc1ccccn1)c1cnc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of 3-chloro-4-fluoro-N-[[5-(3-pyridin-2-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide?
The InChIKey is FBNDXABDKUNSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O3S/c20-16-9-15(5-6-17(16)21)29(27,28)25-11-14-10-24-18(12-23-14)19(26)7-4-13-3-1-2-8-22-13/h1-3,5-6,8-10,12,25H,4,7,11H2.
What are the key properties of 3-chloro-4-fluoro-N-[[5-(3-pyridin-2-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[[5-(3-pyridin-2-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-2-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 147469704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).