N-[3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]phenyl]acetamide

C13H19FN2O4S — CID 79246647

IUPACN-[3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@H](CO)C(C)C)c(F)c1
InChIInChI=1S/C13H19FN2O4S/c1-8(2)12(7-17)16-21(19,20)13-5-4-10(6-11(13)14)15-9(3)18/h4-6,8,12,16-17H,7H2,1-3H3,(H,15,18)/t12-/m1/s1
InChIKeySJKPNOQCQOWFOH-GFCCVEGCSA-N
MW318.37 g/mol
LogP1.08
Rot. Bonds6

About N-[3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]phenyl]acetamide

N-[3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 79246647) has the molecular formula C13H19FN2O4S and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID79246647
Molecular FormulaC13H19FN2O4S
Molecular Weight318.37 g/mol
Exact Mass318.10
IUPAC NameN-[3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@H](CO)C(C)C)c(F)c1
InChIInChI=1S/C13H19FN2O4S/c1-8(2)12(7-17)16-21(19,20)13-5-4-10(6-11(13)14)15-9(3)18/h4-6,8,12,16-17H,7H2,1-3H3,(H,15,18)/t12-/m1/s1
InChIKeySJKPNOQCQOWFOH-GFCCVEGCSA-N
XLogP1.08
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79255603
2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid
CID 43427428
N-[3-fluoro-4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenyl]acetamide
CID 115875772
2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79255910
5-amino-4-bromo-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 104889698
5-bromo-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 71911226
(2S)-2-[(4-acetamido-2-fluorophenyl)sulfonylamino]-3-cyclopropylpropanoic acid
CID 154742047
N-[3-fluoro-4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide
CID 64557240
2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid
CID 60748669
3-fluoro-4-[(1-hydroxy-4-methylpentan-3-yl)sulfamoyl]benzoic acid
CID 106348582
3,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79254992
(2S)-2-[(4-acetamido-2-methylphenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 71387146

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]phenyl]acetamide (CID 79246647) is N-[3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CO)C(C)C)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is SJKPNOQCQOWFOH-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19FN2O4S/c1-8(2)12(7-17)16-21(19,20)13-5-4-10(6-11(13)14)15-9(3)18/h4-6,8,12,16-17H,7H2,1-3H3,(H,15,18)/t12-/m1/s1.
What are the key properties of N-[3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]phenyl]acetamide?
N-[3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 318.37 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 79246647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).