N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]-2-bromophenyl]acetamide;hydrochloride

C12H19BrClN3O3S — CID 120710620

IUPACN-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]-2-bromophenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)CN)cc1Br.Cl
InChIInChI=1S/C12H18BrN3O3S.ClH/c1-8(7-14)16(3)20(18,19)10-4-5-12(11(13)6-10)15-9(2)17;/h4-6,8H,7,14H2,1-3H3,(H,15,17);1H
InChIKeyAIILDILKMOKLMG-UHFFFAOYSA-N
MW400.73 g/mol
LogP1.80
Rot. Bonds5

About N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]-2-bromophenyl]acetamide;hydrochloride

N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]-2-bromophenyl]acetamide;hydrochloride (PubChem CID 120710620) has the molecular formula C12H19BrClN3O3S and a molecular weight of 400.73 g/mol. Its IUPAC name is N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]-2-bromophenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]-2-bromophenyl]acetamide;hydrochloride
PubChem CID120710620
Molecular FormulaC12H19BrClN3O3S
Molecular Weight400.73 g/mol
Exact Mass399.00
IUPAC NameN-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]-2-bromophenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)CN)cc1Br.Cl
InChIInChI=1S/C12H18BrN3O3S.ClH/c1-8(7-14)16(3)20(18,19)10-4-5-12(11(13)6-10)15-9(2)17;/h4-6,8H,7,14H2,1-3H3,(H,15,17);1H
InChIKeyAIILDILKMOKLMG-UHFFFAOYSA-N
XLogP1.80
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.73
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-3-bromo-4-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119982997
N-[2-bromo-4-[methyl(prop-2-ynyl)sulfamoyl]phenyl]acetamide
CID 99837738
N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]phenyl]propanamide;hydrochloride
CID 119982559
N-[4-(4-aminobutylsulfamoyl)-2-bromophenyl]acetamide;hydrochloride
CID 120713453
methyl 4-[1-aminopropan-2-yl(methyl)sulfamoyl]benzoate
CID 119982539
N-(1-aminopropan-2-yl)-2-bromo-5-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119982677
N-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide
CID 120711584
4-N-(1-aminopropan-2-yl)-1-N,4-N,2-trimethylbenzene-1,4-disulfonamide;hydrochloride
CID 120875211
N-(1-aminopropan-2-yl)-N-methyl-3-propanoylbenzenesulfonamide
CID 119983014
N-[2-bromo-4-(2-hydroxypentylsulfamoyl)phenyl]acetamide
CID 119043904
1-acetyl-N-(1-aminopropan-2-yl)-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119982855
N-[4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-bromophenyl]acetamide;hydrochloride
CID 120708030

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]-2-bromophenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]-2-bromophenyl]acetamide;hydrochloride (CID 120710620) is N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]-2-bromophenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]-2-bromophenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]-2-bromophenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)CN)cc1Br.Cl.
What is the InChIKey of N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]-2-bromophenyl]acetamide;hydrochloride?
The InChIKey is AIILDILKMOKLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O3S.ClH/c1-8(7-14)16(3)20(18,19)10-4-5-12(11(13)6-10)15-9(2)17;/h4-6,8H,7,14H2,1-3H3,(H,15,17);1H.
What are the key properties of N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]-2-bromophenyl]acetamide;hydrochloride?
N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]-2-bromophenyl]acetamide;hydrochloride has a molecular weight of 400.73 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-aminopropan-2-yl(methyl)sulfamoyl]-2-bromophenyl]acetamide;hydrochloride is sourced from PubChem (CID 120710620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).