N'-(2,4-difluorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)benzenecarboximidamide

C24H23F2N3O2S — CID 6856315

IUPACN'-(2,4-difluorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)benzenecarboximidamide
SMILESO=S(=O)(/N=C(\Nc1ccc(N2CCCCC2)cc1)c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C24H23F2N3O2S/c25-19-9-14-23(22(26)17-19)32(30,31)28-24(18-7-3-1-4-8-18)27-20-10-12-21(13-11-20)29-15-5-2-6-16-29/h1,3-4,7-14,17H,2,5-6,15-16H2,(H,27,28)
InChIKeyQNDOSYNFLKEZAY-UHFFFAOYSA-N
MW455.53 g/mol
LogP5.20
Rot. Bonds5

About N'-(2,4-difluorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)benzenecarboximidamide

N'-(2,4-difluorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)benzenecarboximidamide (PubChem CID 6856315) has the molecular formula C24H23F2N3O2S and a molecular weight of 455.53 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)benzenecarboximidamide
PubChem CID6856315
Molecular FormulaC24H23F2N3O2S
Molecular Weight455.53 g/mol
Exact Mass455.15
IUPAC NameN'-(2,4-difluorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)benzenecarboximidamide
SMILESO=S(=O)(/N=C(\Nc1ccc(N2CCCCC2)cc1)c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C24H23F2N3O2S/c25-19-9-14-23(22(26)17-19)32(30,31)28-24(18-7-3-1-4-8-18)27-20-10-12-21(13-11-20)29-15-5-2-6-16-29/h1,3-4,7-14,17H,2,5-6,15-16H2,(H,27,28)
InChIKeyQNDOSYNFLKEZAY-UHFFFAOYSA-N
XLogP5.20
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.53
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2,4-difluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987612
N'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide
CID 108527766
N'-(benzenesulfonyl)-4-fluoro-N-phenylbenzenecarboximidamide
CID 2177177
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
N-(2,4-difluorophenyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109041838
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
[(2S)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 3-fluorobenzoate
CID 8612340
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758
N-(2,4-difluorophenyl)sulfonyl-N'-methylbenzenecarboximidamide
CID 3583091
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(4-piperidin-1-ylphenyl)benzamide
CID 25362186
2-(3-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 16552460
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 3-fluorobenzoate
CID 9198592

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)benzenecarboximidamide?
The IUPAC name of N'-(2,4-difluorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)benzenecarboximidamide (CID 6856315) is N'-(2,4-difluorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)benzenecarboximidamide?
The canonical SMILES for N'-(2,4-difluorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)benzenecarboximidamide is O=S(=O)(/N=C(\Nc1ccc(N2CCCCC2)cc1)c1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of N'-(2,4-difluorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)benzenecarboximidamide?
The InChIKey is QNDOSYNFLKEZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O2S/c25-19-9-14-23(22(26)17-19)32(30,31)28-24(18-7-3-1-4-8-18)27-20-10-12-21(13-11-20)29-15-5-2-6-16-29/h1,3-4,7-14,17H,2,5-6,15-16H2,(H,27,28).
What are the key properties of N'-(2,4-difluorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)benzenecarboximidamide?
N'-(2,4-difluorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)benzenecarboximidamide has a molecular weight of 455.53 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)benzenecarboximidamide is sourced from PubChem (CID 6856315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).