N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide

C17H18F2N2O3S — CID 110496382

IUPACN-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide
SMILESCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccccc1F
InChIInChI=1S/C17H18F2N2O3S/c1-2-16(17(22)20-11-12-5-3-4-6-15(12)19)21-25(23,24)14-9-7-13(18)8-10-14/h3-10,16,21H,2,11H2,1H3,(H,20,22)
InChIKeyOTQFJRAHSSBEKS-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.34
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide

N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide (PubChem CID 110496382) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide
PubChem CID110496382
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide
SMILESCCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccccc1F
InChIInChI=1S/C17H18F2N2O3S/c1-2-16(17(22)20-11-12-5-3-4-6-15(12)19)21-25(23,24)14-9-7-13(18)8-10-14/h3-10,16,21H,2,11H2,1H3,(H,20,22)
InChIKeyOTQFJRAHSSBEKS-UHFFFAOYSA-N
XLogP2.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)butanamide
CID 110496326
N-(2-ethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499158
2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide
CID 110496340
N-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 26887031
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 3643187
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499244
N-ethyl-2-[(4-fluorophenyl)sulfonylamino]-N-phenylbutanamide
CID 110497979
(2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide
CID 79025489
2-[2-[(4-fluorophenyl)sulfonylamino]butanoylamino]hexanoic acid
CID 110496366
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 28540557
N-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 43006861
N-(5-chloro-2-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499179

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide (CID 110496382) is N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide is CCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide?
The InChIKey is OTQFJRAHSSBEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-2-16(17(22)20-11-12-5-3-4-6-15(12)19)21-25(23,24)14-9-7-13(18)8-10-14/h3-10,16,21H,2,11H2,1H3,(H,20,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide?
N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide has a molecular weight of 368.41 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]butanamide is sourced from PubChem (CID 110496382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).