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

C13H19FN2O4S — CID 64557240

IUPACN-[3-fluoro-4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide
SMILESCCC(C)(CO)NS(=O)(=O)c1ccc(NC(C)=O)cc1F
InChIInChI=1S/C13H19FN2O4S/c1-4-13(3,8-17)16-21(19,20)12-6-5-10(7-11(12)14)15-9(2)18/h5-7,16-17H,4,8H2,1-3H3,(H,15,18)
InChIKeyVNZANIZABACMPL-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.22
Rot. Bonds6

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

N-[3-fluoro-4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 64557240) has the molecular formula C13H19FN2O4S and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[3-fluoro-4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID64557240
Molecular FormulaC13H19FN2O4S
Molecular Weight318.37 g/mol
Exact Mass318.10
IUPAC NameN-[3-fluoro-4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide
SMILESCCC(C)(CO)NS(=O)(=O)c1ccc(NC(C)=O)cc1F
InChIInChI=1S/C13H19FN2O4S/c1-4-13(3,8-17)16-21(19,20)12-6-5-10(7-11(12)14)15-9(2)18/h5-7,16-17H,4,8H2,1-3H3,(H,15,18)
InChIKeyVNZANIZABACMPL-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzenesulfonamide
CID 64557435
2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid
CID 43427428
N-[3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]phenyl]acetamide
CID 79246647
2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid
CID 60748669
3-fluoro-5-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]-4-methylbenzoic acid
CID 64551365
N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]-3-fluorophenyl]acetamide
CID 60956568
4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165228
N-[3-fluoro-4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenyl]acetamide
CID 115875772
N-[4-[(1-amino-3-methylpentan-3-yl)sulfamoyl]phenyl]acetamide
CID 106165353
N-(1-amino-2-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide
CID 61133614
2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
CID 64557229
4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 167825514

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[3-fluoro-4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide (CID 64557240) is N-[3-fluoro-4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-fluoro-4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[3-fluoro-4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide is CCC(C)(CO)NS(=O)(=O)c1ccc(NC(C)=O)cc1F.
What is the InChIKey of N-[3-fluoro-4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is VNZANIZABACMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4S/c1-4-13(3,8-17)16-21(19,20)12-6-5-10(7-11(12)14)15-9(2)18/h5-7,16-17H,4,8H2,1-3H3,(H,15,18).
What are the key properties of N-[3-fluoro-4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide?
N-[3-fluoro-4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 318.37 g/mol, XLogP of 1.22, 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-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 64557240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).