N-[2-bromo-4-(2-hydroxypentylsulfamoyl)phenyl]acetamide

C13H19BrN2O4S — CID 119043904

IUPACN-[2-bromo-4-(2-hydroxypentylsulfamoyl)phenyl]acetamide
SMILESCCCC(O)CNS(=O)(=O)c1ccc(NC(C)=O)c(Br)c1
InChIInChI=1S/C13H19BrN2O4S/c1-3-4-10(18)8-15-21(19,20)11-5-6-13(12(14)7-11)16-9(2)17/h5-7,10,15,18H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyWZKGPTHHJCGFCU-UHFFFAOYSA-N
MW379.28 g/mol
LogP1.85
Rot. Bonds7

About N-[2-bromo-4-(2-hydroxypentylsulfamoyl)phenyl]acetamide

N-[2-bromo-4-(2-hydroxypentylsulfamoyl)phenyl]acetamide (PubChem CID 119043904) has the molecular formula C13H19BrN2O4S and a molecular weight of 379.28 g/mol. Its IUPAC name is N-[2-bromo-4-(2-hydroxypentylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-bromo-4-(2-hydroxypentylsulfamoyl)phenyl]acetamide
PubChem CID119043904
Molecular FormulaC13H19BrN2O4S
Molecular Weight379.28 g/mol
Exact Mass378.02
IUPAC NameN-[2-bromo-4-(2-hydroxypentylsulfamoyl)phenyl]acetamide
SMILESCCCC(O)CNS(=O)(=O)c1ccc(NC(C)=O)c(Br)c1
InChIInChI=1S/C13H19BrN2O4S/c1-3-4-10(18)8-15-21(19,20)11-5-6-13(12(14)7-11)16-9(2)17/h5-7,10,15,18H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyWZKGPTHHJCGFCU-UHFFFAOYSA-N
XLogP1.85
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide
CID 113495499
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide
CID 120713313
3,4-difluoro-N-(2-hydroxypentyl)benzenesulfonamide
CID 115754475
N-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide
CID 120711584
N-(2-hydroxypentyl)-3-nitrobenzenesulfonamide
CID 104626179
N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
CID 113496241
N-[4-(4-aminobutylsulfamoyl)-2-bromophenyl]acetamide;hydrochloride
CID 120713453
ethyl 4-(2-hydroxypentylsulfamoyl)benzoate
CID 115754497
N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 115754460
2,5-dibromo-N-(2-hydroxypentyl)-4-methylbenzenesulfonamide
CID 115754515
N-[4-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-2-bromophenyl]acetamide
CID 120714086
N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]-2-bromophenyl]acetamide;hydrochloride
CID 120710620

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-(2-hydroxypentylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[2-bromo-4-(2-hydroxypentylsulfamoyl)phenyl]acetamide (CID 119043904) is N-[2-bromo-4-(2-hydroxypentylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[2-bromo-4-(2-hydroxypentylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[2-bromo-4-(2-hydroxypentylsulfamoyl)phenyl]acetamide is CCCC(O)CNS(=O)(=O)c1ccc(NC(C)=O)c(Br)c1.
What is the InChIKey of N-[2-bromo-4-(2-hydroxypentylsulfamoyl)phenyl]acetamide?
The InChIKey is WZKGPTHHJCGFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O4S/c1-3-4-10(18)8-15-21(19,20)11-5-6-13(12(14)7-11)16-9(2)17/h5-7,10,15,18H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of N-[2-bromo-4-(2-hydroxypentylsulfamoyl)phenyl]acetamide?
N-[2-bromo-4-(2-hydroxypentylsulfamoyl)phenyl]acetamide has a molecular weight of 379.28 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-(2-hydroxypentylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 119043904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).