N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]-3-fluorophenyl]acetamide

C12H17FN2O4S — CID 60956568

IUPACN-[4-[ethyl(2-hydroxyethyl)sulfamoyl]-3-fluorophenyl]acetamide
SMILESCCN(CCO)S(=O)(=O)c1ccc(NC(C)=O)cc1F
InChIInChI=1S/C12H17FN2O4S/c1-3-15(6-7-16)20(18,19)12-5-4-10(8-11(12)13)14-9(2)17/h4-5,8,16H,3,6-7H2,1-2H3,(H,14,17)
InChIKeyRIRJGOUXLJWTMF-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.79
Rot. Bonds6

About N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]-3-fluorophenyl]acetamide

N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]-3-fluorophenyl]acetamide (PubChem CID 60956568) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]-3-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[ethyl(2-hydroxyethyl)sulfamoyl]-3-fluorophenyl]acetamide
PubChem CID60956568
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC NameN-[4-[ethyl(2-hydroxyethyl)sulfamoyl]-3-fluorophenyl]acetamide
SMILESCCN(CCO)S(=O)(=O)c1ccc(NC(C)=O)cc1F
InChIInChI=1S/C12H17FN2O4S/c1-3-15(6-7-16)20(18,19)12-5-4-10(8-11(12)13)14-9(2)17/h4-5,8,16H,3,6-7H2,1-2H3,(H,14,17)
InChIKeyRIRJGOUXLJWTMF-UHFFFAOYSA-N
XLogP0.79
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetamido-2-fluorophenyl)sulfonyl-ethylamino]acetic acid
CID 61011984
N-[3-fluoro-4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]phenyl]acetamide
CID 115875772
N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]phenyl]acetamide
CID 39387601
N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957801
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
N-[4-[butyl(ethyl)sulfamoyl]phenyl]acetamide
CID 2164655
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
N-[3-[ethyl(2-methylprop-2-enyl)sulfamoyl]-4-methylphenyl]acetamide
CID 39792493
N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879245
2-[(4-bromo-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103103881

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]-3-fluorophenyl]acetamide?
The IUPAC name of N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]-3-fluorophenyl]acetamide (CID 60956568) is N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]-3-fluorophenyl]acetamide.
What is the SMILES notation for N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]-3-fluorophenyl]acetamide?
The canonical SMILES for N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]-3-fluorophenyl]acetamide is CCN(CCO)S(=O)(=O)c1ccc(NC(C)=O)cc1F.
What is the InChIKey of N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]-3-fluorophenyl]acetamide?
The InChIKey is RIRJGOUXLJWTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-3-15(6-7-16)20(18,19)12-5-4-10(8-11(12)13)14-9(2)17/h4-5,8,16H,3,6-7H2,1-2H3,(H,14,17).
What are the key properties of N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]-3-fluorophenyl]acetamide?
N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]-3-fluorophenyl]acetamide has a molecular weight of 304.34 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]-3-fluorophenyl]acetamide is sourced from PubChem (CID 60956568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).