3-chloro-4-fluoro-N-[[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]methyl]benzenesulfonamide

C21H19ClFN3O4S — CID 146725121

IUPAC3-chloro-4-fluoro-N-[[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]methyl]benzenesulfonamide
SMILESCOc1ccc(CCC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nc2)cn1
InChIInChI=1S/C21H19ClFN3O4S/c1-30-21-9-3-14(11-25-21)2-8-20(27)15-4-5-16(24-12-15)13-26-31(28,29)17-6-7-19(23)18(22)10-17/h3-7,9-12,26H,2,8,13H2,1H3
InChIKeyRGFFOBNDCFRWIT-UHFFFAOYSA-N
MW463.92 g/mol
LogP3.57
Rot. Bonds9

About 3-chloro-4-fluoro-N-[[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]methyl]benzenesulfonamide

3-chloro-4-fluoro-N-[[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]methyl]benzenesulfonamide (PubChem CID 146725121) has the molecular formula C21H19ClFN3O4S and a molecular weight of 463.92 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]methyl]benzenesulfonamide
PubChem CID146725121
Molecular FormulaC21H19ClFN3O4S
Molecular Weight463.92 g/mol
Exact Mass463.08
IUPAC Name3-chloro-4-fluoro-N-[[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]methyl]benzenesulfonamide
SMILESCOc1ccc(CCC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nc2)cn1
InChIInChI=1S/C21H19ClFN3O4S/c1-30-21-9-3-14(11-25-21)2-8-20(27)15-4-5-16(24-12-15)13-26-31(28,29)17-6-7-19(23)18(22)10-17/h3-7,9-12,26H,2,8,13H2,1H3
InChIKeyRGFFOBNDCFRWIT-UHFFFAOYSA-N
XLogP3.57
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.92
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-4-fluoro-N-[[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]methyl]benzenesulfonamide with MolForge

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Related Compounds

3-chloro-N-[[5-[4-(dimethylamino)butanoyl]-2-pyridinyl]methyl]-4-fluorobenzenesulfonamide
CID 159087427
3-chloro-4-fluoro-N-[[5-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-2-pyridinyl]methyl]benzenesulfonamide
CID 146996521
3-chloro-4-fluoro-N-[[6-[3-(3-methoxyphenyl)propanoyl]-3-pyridinyl]methyl]benzenesulfonamide
CID 147583401
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzenesulfonamide
CID 134036423
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-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269
3-chloro-4-fluoro-N-[[6-(3-pyridin-2-ylpropanoyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 149481631
3-chloro-4-fluoro-N-[[5-(3-pyridin-2-ylpropanoyl)pyrazin-2-yl]methyl]benzenesulfonamide
CID 147469704
4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 4882339
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
3-chloro-4-fluoro-N-[[6-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]pyridazin-3-yl]methyl]benzenesulfonamide
CID 147427510

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]methyl]benzenesulfonamide (CID 146725121) is 3-chloro-4-fluoro-N-[[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]methyl]benzenesulfonamide is COc1ccc(CCC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nc2)cn1.
What is the InChIKey of 3-chloro-4-fluoro-N-[[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is RGFFOBNDCFRWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O4S/c1-30-21-9-3-14(11-25-21)2-8-20(27)15-4-5-16(24-12-15)13-26-31(28,29)17-6-7-19(23)18(22)10-17/h3-7,9-12,26H,2,8,13H2,1H3.
What are the key properties of 3-chloro-4-fluoro-N-[[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]methyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 463.92 g/mol, XLogP of 3.57, 9 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-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 146725121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).