N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide

C17H18F2N2O3S — CID 30845467

IUPACN-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
SMILESCN(CCCC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18F2N2O3S/c1-21(25(23,24)16-9-7-13(18)8-10-16)11-3-6-17(22)20-15-5-2-4-14(19)12-15/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,20,22)
InChIKeyOCJRCOGIFZJTHK-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.00
Rot. Bonds7

About N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide

N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide (PubChem CID 30845467) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
PubChem CID30845467
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC NameN-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
SMILESCN(CCCC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18F2N2O3S/c1-21(25(23,24)16-9-7-13(18)8-10-16)11-3-6-17(22)20-15-5-2-4-14(19)12-15/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,20,22)
InChIKeyOCJRCOGIFZJTHK-UHFFFAOYSA-N
XLogP3.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide
CID 78791940
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide
CID 60574539
N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30855362
N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30854882
6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide
CID 42100975
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide
CID 30844560
N-ethyl-4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]benzamide
CID 55802134
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 45372456
3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzamide
CID 24617336
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 27901858
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-nitrophenyl)butanamide
CID 8574452
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-5-methylphenyl)butanamide
CID 60562349

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
The IUPAC name of N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide (CID 30845467) is N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
The canonical SMILES for N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide is CN(CCCC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
The InChIKey is OCJRCOGIFZJTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-21(25(23,24)16-9-7-13(18)8-10-16)11-3-6-17(22)20-15-5-2-4-14(19)12-15/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,20,22).
What are the key properties of N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide has a molecular weight of 368.41 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide is sourced from PubChem (CID 30845467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).