N-[5-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride

C11H17ClFN3O3S — CID 119962345

IUPACN-[5-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(S(=O)(=O)NCCCN)ccc1F.Cl
InChIInChI=1S/C11H16FN3O3S.ClH/c1-8(16)15-11-7-9(3-4-10(11)12)19(17,18)14-6-2-5-13;/h3-4,7,14H,2,5-6,13H2,1H3,(H,15,16);1H
InChIKeyJFFHSBBGYVWIRQ-UHFFFAOYSA-N
MW325.79 g/mol
LogP0.83
Rot. Bonds6

About N-[5-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride

N-[5-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride (PubChem CID 119962345) has the molecular formula C11H17ClFN3O3S and a molecular weight of 325.79 g/mol. Its IUPAC name is N-[5-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride
PubChem CID119962345
Molecular FormulaC11H17ClFN3O3S
Molecular Weight325.79 g/mol
Exact Mass325.07
IUPAC NameN-[5-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(S(=O)(=O)NCCCN)ccc1F.Cl
InChIInChI=1S/C11H16FN3O3S.ClH/c1-8(16)15-11-7-9(3-4-10(11)12)19(17,18)14-6-2-5-13;/h3-4,7,14H,2,5-6,13H2,1H3,(H,15,16);1H
InChIKeyJFFHSBBGYVWIRQ-UHFFFAOYSA-N
XLogP0.83
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(4-aminobutylsulfamoyl)-2-fluorophenyl]acetamide
CID 120583268
N-[5-(2-aminoethylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride
CID 119960343
N-[4-(4-aminobutylsulfamoyl)-2-bromophenyl]acetamide;hydrochloride
CID 120713453
N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride
CID 120583378
N-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120706784
N-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120720457
N-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide
CID 100553378
N-(3-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide
CID 119961970
N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide
CID 8777676
3-acetamido-N-(3-aminopropyl)-4-fluorobenzamide
CID 119406204
N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986
N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride
CID 119962113

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride?
The IUPAC name of N-[5-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride (CID 119962345) is N-[5-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[5-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride?
The canonical SMILES for N-[5-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride is CC(=O)Nc1cc(S(=O)(=O)NCCCN)ccc1F.Cl.
What is the InChIKey of N-[5-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride?
The InChIKey is JFFHSBBGYVWIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3S.ClH/c1-8(16)15-11-7-9(3-4-10(11)12)19(17,18)14-6-2-5-13;/h3-4,7,14H,2,5-6,13H2,1H3,(H,15,16);1H.
What are the key properties of N-[5-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride?
N-[5-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride has a molecular weight of 325.79 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride is sourced from PubChem (CID 119962345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).