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

C17H19FN2O4S — CID 78791940

IUPAC4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide
SMILESCN(CCCC(=O)Nc1cccc(O)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O4S/c1-20(25(23,24)16-9-7-13(18)8-10-16)11-3-6-17(22)19-14-4-2-5-15(21)12-14/h2,4-5,7-10,12,21H,3,6,11H2,1H3,(H,19,22)
InChIKeyYYBKYTHYORPXKJ-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.57
Rot. Bonds7

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

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide (PubChem CID 78791940) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide
PubChem CID78791940
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide
SMILESCN(CCCC(=O)Nc1cccc(O)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O4S/c1-20(25(23,24)16-9-7-13(18)8-10-16)11-3-6-17(22)19-14-4-2-5-15(21)12-14/h2,4-5,7-10,12,21H,3,6,11H2,1H3,(H,19,22)
InChIKeyYYBKYTHYORPXKJ-UHFFFAOYSA-N
XLogP2.57
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30845467
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide
CID 60574539
3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzamide
CID 24617336
6-[methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)hexanamide
CID 42100975
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-(3-bromophenyl)butanamide
CID 30844560
N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30855362
N-ethyl-4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]benzamide
CID 55802134
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-5-methylphenyl)butanamide
CID 60562349
N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30854882
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-(6-phenylmethoxy-3-pyridinyl)butanamide
CID 55878929

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide (CID 78791940) is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide is CN(CCCC(=O)Nc1cccc(O)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide?
The InChIKey is YYBKYTHYORPXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-20(25(23,24)16-9-7-13(18)8-10-16)11-3-6-17(22)19-14-4-2-5-15(21)12-14/h2,4-5,7-10,12,21H,3,6,11H2,1H3,(H,19,22).
What are the key properties of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide?
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide has a molecular weight of 366.41 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide is sourced from PubChem (CID 78791940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).