4-(3-aminobutylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride

C13H22ClN3O3S — CID 120708563

IUPAC4-(3-aminobutylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride
SMILESCC(N)CCNS(=O)(=O)c1ccc(C(=O)N(C)C)cc1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-10(14)8-9-15-20(18,19)12-6-4-11(5-7-12)13(17)16(2)3;/h4-7,10,15H,8-9,14H2,1-3H3;1H
InChIKeyBILLMYPPRJUZOV-UHFFFAOYSA-N
MW335.86 g/mol
LogP0.83
Rot. Bonds6

About 4-(3-aminobutylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride

4-(3-aminobutylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride (PubChem CID 120708563) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is 4-(3-aminobutylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(3-aminobutylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride
PubChem CID120708563
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC Name4-(3-aminobutylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride
SMILESCC(N)CCNS(=O)(=O)c1ccc(C(=O)N(C)C)cc1.Cl
InChIInChI=1S/C13H21N3O3S.ClH/c1-10(14)8-9-15-20(18,19)12-6-4-11(5-7-12)13(17)16(2)3;/h4-7,10,15H,8-9,14H2,1-3H3;1H
InChIKeyBILLMYPPRJUZOV-UHFFFAOYSA-N
XLogP0.83
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(3-aminobutylsulfamoyl)benzoate;hydrochloride
CID 119972640
N-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide
CID 139492880
4-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
CID 120709297
N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride
CID 119972319
N-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 119972328
N-(3-aminobutyl)-4-(butan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119498659
N-(3-aminobutyl)-4-methylsulfonylbenzamide;hydrochloride
CID 119499324
N-(3-aminobutyl)-4-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119972659
4-acetyl-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911235
4-acetyl-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 115604223
4-(2-aminoethylsulfamoyl)-N,N-diethylbenzamide;hydrochloride
CID 119960282
N-(3-aminobutyl)-4-(4-methoxyphenoxy)benzenesulfonamide
CID 119972545

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminobutylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride?
The IUPAC name of 4-(3-aminobutylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride (CID 120708563) is 4-(3-aminobutylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 4-(3-aminobutylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride?
The canonical SMILES for 4-(3-aminobutylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride is CC(N)CCNS(=O)(=O)c1ccc(C(=O)N(C)C)cc1.Cl.
What is the InChIKey of 4-(3-aminobutylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride?
The InChIKey is BILLMYPPRJUZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S.ClH/c1-10(14)8-9-15-20(18,19)12-6-4-11(5-7-12)13(17)16(2)3;/h4-7,10,15H,8-9,14H2,1-3H3;1H.
What are the key properties of 4-(3-aminobutylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride?
4-(3-aminobutylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride has a molecular weight of 335.86 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminobutylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 120708563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).