N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride

C12H20ClN3O3S — CID 120583378

IUPACN-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCCCN)cc1.Cl
InChIInChI=1S/C12H19N3O3S.ClH/c1-10(16)15-11-4-6-12(7-5-11)19(17,18)14-9-3-2-8-13;/h4-7,14H,2-3,8-9,13H2,1H3,(H,15,16);1H
InChIKeyHMCKGDJBULCICM-UHFFFAOYSA-N
MW321.83 g/mol
LogP1.08
Rot. Bonds7

About N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride

N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride (PubChem CID 120583378) has the molecular formula C12H20ClN3O3S and a molecular weight of 321.83 g/mol. Its IUPAC name is N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride
PubChem CID120583378
Molecular FormulaC12H20ClN3O3S
Molecular Weight321.83 g/mol
Exact Mass321.09
IUPAC NameN-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCCCN)cc1.Cl
InChIInChI=1S/C12H19N3O3S.ClH/c1-10(16)15-11-4-6-12(7-5-11)19(17,18)14-9-3-2-8-13;/h4-7,14H,2-3,8-9,13H2,1H3,(H,15,16);1H
InChIKeyHMCKGDJBULCICM-UHFFFAOYSA-N
XLogP1.08
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 51.08
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-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide
CID 107849118
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
CID 43602837
4-[(4-acetamidophenyl)sulfonylamino]butanoate
CID 2385404
N-[4-(hex-5-ynylsulfamoyl)phenyl]acetamide
CID 103756998
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
N-[4-(4-aminobutylsulfamoyl)-2-bromophenyl]acetamide;hydrochloride
CID 120713453
7-amino-N-[4-(propylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119720435
N-[5-(4-aminobutylsulfamoyl)-2-fluorophenyl]acetamide
CID 120583268
N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide
CID 3728268
N-[4-[3-[dimethoxy(methyl)silyl]propylsulfamoyl]phenyl]acetamide
CID 58129736
N-(5-aminopentyl)-4-(2,2-dimethylpropanoyl)benzenesulfonamide
CID 20604027
N-[5-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride
CID 119962345

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride (CID 120583378) is N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(S(=O)(=O)NCCCCN)cc1.Cl.
What is the InChIKey of N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride?
The InChIKey is HMCKGDJBULCICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S.ClH/c1-10(16)15-11-4-6-12(7-5-11)19(17,18)14-9-3-2-8-13;/h4-7,14H,2-3,8-9,13H2,1H3,(H,15,16);1H.
What are the key properties of N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride?
N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride has a molecular weight of 321.83 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 120583378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).