N-[5-(4-aminobutylsulfamoyl)-2-fluorophenyl]acetamide

C12H18FN3O3S — CID 120583268

IUPACN-[5-(4-aminobutylsulfamoyl)-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)NCCCCN)ccc1F
InChIInChI=1S/C12H18FN3O3S/c1-9(17)16-12-8-10(4-5-11(12)13)20(18,19)15-7-3-2-6-14/h4-5,8,15H,2-3,6-7,14H2,1H3,(H,16,17)
InChIKeyNFXXHUCZSUXYCD-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.80
Rot. Bonds7

About N-[5-(4-aminobutylsulfamoyl)-2-fluorophenyl]acetamide

N-[5-(4-aminobutylsulfamoyl)-2-fluorophenyl]acetamide (PubChem CID 120583268) has the molecular formula C12H18FN3O3S and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[5-(4-aminobutylsulfamoyl)-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-aminobutylsulfamoyl)-2-fluorophenyl]acetamide
PubChem CID120583268
Molecular FormulaC12H18FN3O3S
Molecular Weight303.36 g/mol
Exact Mass303.11
IUPAC NameN-[5-(4-aminobutylsulfamoyl)-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)NCCCCN)ccc1F
InChIInChI=1S/C12H18FN3O3S/c1-9(17)16-12-8-10(4-5-11(12)13)20(18,19)15-7-3-2-6-14/h4-5,8,15H,2-3,6-7,14H2,1H3,(H,16,17)
InChIKeyNFXXHUCZSUXYCD-UHFFFAOYSA-N
XLogP0.80
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.80
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-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride
CID 119962345
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-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide
CID 8777676
N-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide
CID 100553378
N-(4-aminobutyl)-4-(ethylsulfonylamino)-3-fluorobenzenesulfonamide;hydrochloride
CID 120583201
N-(4-aminobutyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 120583345
N-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120706784
N-[2-fluoro-5-[(4-methylpiperidin-4-yl)methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120720457
N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986
N-(3-aminopropyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide
CID 119961970

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-aminobutylsulfamoyl)-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-(4-aminobutylsulfamoyl)-2-fluorophenyl]acetamide (CID 120583268) is N-[5-(4-aminobutylsulfamoyl)-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-(4-aminobutylsulfamoyl)-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-(4-aminobutylsulfamoyl)-2-fluorophenyl]acetamide is CC(=O)Nc1cc(S(=O)(=O)NCCCCN)ccc1F.
What is the InChIKey of N-[5-(4-aminobutylsulfamoyl)-2-fluorophenyl]acetamide?
The InChIKey is NFXXHUCZSUXYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O3S/c1-9(17)16-12-8-10(4-5-11(12)13)20(18,19)15-7-3-2-6-14/h4-5,8,15H,2-3,6-7,14H2,1H3,(H,16,17).
What are the key properties of N-[5-(4-aminobutylsulfamoyl)-2-fluorophenyl]acetamide?
N-[5-(4-aminobutylsulfamoyl)-2-fluorophenyl]acetamide has a molecular weight of 303.36 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-aminobutylsulfamoyl)-2-fluorophenyl]acetamide is sourced from PubChem (CID 120583268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).