N-[5-(2-aminoethylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride

C10H15ClFN3O3S — CID 119960343

IUPACN-[5-(2-aminoethylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(S(=O)(=O)NCCN)ccc1F.Cl
InChIInChI=1S/C10H14FN3O3S.ClH/c1-7(15)14-10-6-8(2-3-9(10)11)18(16,17)13-5-4-12;/h2-3,6,13H,4-5,12H2,1H3,(H,14,15);1H
InChIKeyGELHNJLAMVQZKA-UHFFFAOYSA-N
MW311.77 g/mol
LogP0.44
Rot. Bonds5

About N-[5-(2-aminoethylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride

N-[5-(2-aminoethylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride (PubChem CID 119960343) has the molecular formula C10H15ClFN3O3S and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[5-(2-aminoethylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(2-aminoethylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride
PubChem CID119960343
Molecular FormulaC10H15ClFN3O3S
Molecular Weight311.77 g/mol
Exact Mass311.05
IUPAC NameN-[5-(2-aminoethylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(S(=O)(=O)NCCN)ccc1F.Cl
InChIInChI=1S/C10H14FN3O3S.ClH/c1-7(15)14-10-6-8(2-3-9(10)11)18(16,17)13-5-4-12;/h2-3,6,13H,4-5,12H2,1H3,(H,14,15);1H
InChIKeyGELHNJLAMVQZKA-UHFFFAOYSA-N
XLogP0.44
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride
CID 119962345
N-[5-(4-aminobutylsulfamoyl)-2-fluorophenyl]acetamide
CID 120583268
N-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120720457
N-[4-(4-aminobutylsulfamoyl)-2-bromophenyl]acetamide;hydrochloride
CID 120713453
N-[4-(2-aminoethylsulfamoyl)-2-chloro-5-fluorophenyl]acetamide;hydrochloride
CID 119960027
N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid
CID 61403327
N-[5-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]-2-fluorophenyl]acetamide
CID 119991889
N-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide
CID 100553378
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride
CID 120583378

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-aminoethylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride?
The IUPAC name of N-[5-(2-aminoethylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride (CID 119960343) is N-[5-(2-aminoethylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[5-(2-aminoethylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride?
The canonical SMILES for N-[5-(2-aminoethylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride is CC(=O)Nc1cc(S(=O)(=O)NCCN)ccc1F.Cl.
What is the InChIKey of N-[5-(2-aminoethylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride?
The InChIKey is GELHNJLAMVQZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3S.ClH/c1-7(15)14-10-6-8(2-3-9(10)11)18(16,17)13-5-4-12;/h2-3,6,13H,4-5,12H2,1H3,(H,14,15);1H.
What are the key properties of N-[5-(2-aminoethylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride?
N-[5-(2-aminoethylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride has a molecular weight of 311.77 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-aminoethylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride is sourced from PubChem (CID 119960343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).