2,4-difluoro-N-[3-oxo-3-(3-piperidin-1-ylsulfonylanilino)propyl]benzamide

C21H23F2N3O4S — CID 30668165

IUPAC2,4-difluoro-N-[3-oxo-3-(3-piperidin-1-ylsulfonylanilino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C21H23F2N3O4S/c22-15-7-8-18(19(23)13-15)21(28)24-10-9-20(27)25-16-5-4-6-17(14-16)31(29,30)26-11-2-1-3-12-26/h4-8,13-14H,1-3,9-12H2,(H,24,28)(H,25,27)
InChIKeyPKPGZTYNVYISTD-UHFFFAOYSA-N
MW451.50 g/mol
LogP2.90
Rot. Bonds7

About 2,4-difluoro-N-[3-oxo-3-(3-piperidin-1-ylsulfonylanilino)propyl]benzamide

2,4-difluoro-N-[3-oxo-3-(3-piperidin-1-ylsulfonylanilino)propyl]benzamide (PubChem CID 30668165) has the molecular formula C21H23F2N3O4S and a molecular weight of 451.50 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-oxo-3-(3-piperidin-1-ylsulfonylanilino)propyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-oxo-3-(3-piperidin-1-ylsulfonylanilino)propyl]benzamide
PubChem CID30668165
Molecular FormulaC21H23F2N3O4S
Molecular Weight451.50 g/mol
Exact Mass451.14
IUPAC Name2,4-difluoro-N-[3-oxo-3-(3-piperidin-1-ylsulfonylanilino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C21H23F2N3O4S/c22-15-7-8-18(19(23)13-15)21(28)24-10-9-20(27)25-16-5-4-6-17(14-16)31(29,30)26-11-2-1-3-12-26/h4-8,13-14H,1-3,9-12H2,(H,24,28)(H,25,27)
InChIKeyPKPGZTYNVYISTD-UHFFFAOYSA-N
XLogP2.90
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]benzamide
CID 30485549
2-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759853
3-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 30684734
2,4-difluoro-N-[4-(2-hydroxy-5-pyrrolidin-1-ylsulfonylanilino)-4-oxobutyl]benzamide
CID 24596743
2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252564
N-[4-oxo-4-(3-piperidin-1-ylsulfonylanilino)butyl]benzamide
CID 31009310
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262517
4-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 110312103
3-(4-fluorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9414940
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591815
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-oxo-3-(3-piperidin-1-ylsulfonylanilino)propyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-oxo-3-(3-piperidin-1-ylsulfonylanilino)propyl]benzamide (CID 30668165) is 2,4-difluoro-N-[3-oxo-3-(3-piperidin-1-ylsulfonylanilino)propyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-oxo-3-(3-piperidin-1-ylsulfonylanilino)propyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-oxo-3-(3-piperidin-1-ylsulfonylanilino)propyl]benzamide is O=C(CCNC(=O)c1ccc(F)cc1F)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2,4-difluoro-N-[3-oxo-3-(3-piperidin-1-ylsulfonylanilino)propyl]benzamide?
The InChIKey is PKPGZTYNVYISTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O4S/c22-15-7-8-18(19(23)13-15)21(28)24-10-9-20(27)25-16-5-4-6-17(14-16)31(29,30)26-11-2-1-3-12-26/h4-8,13-14H,1-3,9-12H2,(H,24,28)(H,25,27).
What are the key properties of 2,4-difluoro-N-[3-oxo-3-(3-piperidin-1-ylsulfonylanilino)propyl]benzamide?
2,4-difluoro-N-[3-oxo-3-(3-piperidin-1-ylsulfonylanilino)propyl]benzamide has a molecular weight of 451.50 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-oxo-3-(3-piperidin-1-ylsulfonylanilino)propyl]benzamide is sourced from PubChem (CID 30668165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).