3-chloro-4-fluoro-N-[[6-(3-pyridin-2-ylpropanoyl)-3-pyridinyl]methyl]benzenesulfonamide

C20H17ClFN3O3S — CID 149481631

IUPAC3-chloro-4-fluoro-N-[[6-(3-pyridin-2-ylpropanoyl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESO=C(CCc1ccccn1)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C20H17ClFN3O3S/c21-17-11-16(6-7-18(17)22)29(27,28)25-13-14-4-8-19(24-12-14)20(26)9-5-15-3-1-2-10-23-15/h1-4,6-8,10-12,25H,5,9,13H2
InChIKeyZDJIBZDFWZCXHF-UHFFFAOYSA-N
MW433.89 g/mol
LogP3.56
Rot. Bonds8

About 3-chloro-4-fluoro-N-[[6-(3-pyridin-2-ylpropanoyl)-3-pyridinyl]methyl]benzenesulfonamide

3-chloro-4-fluoro-N-[[6-(3-pyridin-2-ylpropanoyl)-3-pyridinyl]methyl]benzenesulfonamide (PubChem CID 149481631) has the molecular formula C20H17ClFN3O3S and a molecular weight of 433.89 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[[6-(3-pyridin-2-ylpropanoyl)-3-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[[6-(3-pyridin-2-ylpropanoyl)-3-pyridinyl]methyl]benzenesulfonamide
PubChem CID149481631
Molecular FormulaC20H17ClFN3O3S
Molecular Weight433.89 g/mol
Exact Mass433.07
IUPAC Name3-chloro-4-fluoro-N-[[6-(3-pyridin-2-ylpropanoyl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESO=C(CCc1ccccn1)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C20H17ClFN3O3S/c21-17-11-16(6-7-18(17)22)29(27,28)25-13-14-4-8-19(24-12-14)20(26)9-5-15-3-1-2-10-23-15/h1-4,6-8,10-12,25H,5,9,13H2
InChIKeyZDJIBZDFWZCXHF-UHFFFAOYSA-N
XLogP3.56
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.89
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-4-fluoro-N-[[6-(3-pyridin-2-ylpropanoyl)-3-pyridinyl]methyl]benzenesulfonamide with MolForge

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Related Compounds

3-chloro-4-fluoro-N-[[5-(3-pyridin-2-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide
CID 147469704
3-chloro-4-fluoro-N-[[6-[3-(3-methoxyphenyl)propanoyl]-3-pyridinyl]methyl]benzenesulfonamide
CID 147583401
4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 4882339
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
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
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
4-amino-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 115330027
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 1090581
N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 3752569
3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[[6-(3-pyridin-2-ylpropanoyl)-3-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[[6-(3-pyridin-2-ylpropanoyl)-3-pyridinyl]methyl]benzenesulfonamide (CID 149481631) is 3-chloro-4-fluoro-N-[[6-(3-pyridin-2-ylpropanoyl)-3-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[[6-(3-pyridin-2-ylpropanoyl)-3-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[[6-(3-pyridin-2-ylpropanoyl)-3-pyridinyl]methyl]benzenesulfonamide is O=C(CCc1ccccn1)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of 3-chloro-4-fluoro-N-[[6-(3-pyridin-2-ylpropanoyl)-3-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is ZDJIBZDFWZCXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O3S/c21-17-11-16(6-7-18(17)22)29(27,28)25-13-14-4-8-19(24-12-14)20(26)9-5-15-3-1-2-10-23-15/h1-4,6-8,10-12,25H,5,9,13H2.
What are the key properties of 3-chloro-4-fluoro-N-[[6-(3-pyridin-2-ylpropanoyl)-3-pyridinyl]methyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[[6-(3-pyridin-2-ylpropanoyl)-3-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 433.89 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[[6-(3-pyridin-2-ylpropanoyl)-3-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 149481631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).