N-[2-bromo-4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride

C14H21BrClN3O3S — CID 120710147

IUPACN-[2-bromo-4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)CC1.Cl
InChIInChI=1S/C14H20BrN3O3S.ClH/c1-10(19)17-14-4-3-12(9-13(14)15)22(20,21)18-7-5-11(16-2)6-8-18;/h3-4,9,11,16H,5-8H2,1-2H3,(H,17,19);1H
InChIKeyZSRQSVCGNJBDBP-UHFFFAOYSA-N
MW426.76 g/mol
LogP2.20
Rot. Bonds4

About N-[2-bromo-4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride

N-[2-bromo-4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride (PubChem CID 120710147) has the molecular formula C14H21BrClN3O3S and a molecular weight of 426.76 g/mol. Its IUPAC name is N-[2-bromo-4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-bromo-4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride
PubChem CID120710147
Molecular FormulaC14H21BrClN3O3S
Molecular Weight426.76 g/mol
Exact Mass425.02
IUPAC NameN-[2-bromo-4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)CC1.Cl
InChIInChI=1S/C14H20BrN3O3S.ClH/c1-10(19)17-14-4-3-12(9-13(14)15)22(20,21)18-7-5-11(16-2)6-8-18;/h3-4,9,11,16H,5-8H2,1-2H3,(H,17,19);1H
InChIKeyZSRQSVCGNJBDBP-UHFFFAOYSA-N
XLogP2.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.76
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
N-[4-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-2-bromophenyl]acetamide
CID 120714086
1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980298
N-[4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-bromophenyl]acetamide;hydrochloride
CID 120708030
2-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119980179
N-[2-methyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 119978274
N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119980208
N-[2-bromo-4-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide
CID 120707655
N-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-fluorophenyl]acetamide;hydrochloride
CID 119987931
N-[2-fluoro-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978571
2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119979778
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride?
The IUPAC name of N-[2-bromo-4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride (CID 120710147) is N-[2-bromo-4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-bromo-4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-bromo-4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride is CNC1CCN(S(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)CC1.Cl.
What is the InChIKey of N-[2-bromo-4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride?
The InChIKey is ZSRQSVCGNJBDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O3S.ClH/c1-10(19)17-14-4-3-12(9-13(14)15)22(20,21)18-7-5-11(16-2)6-8-18;/h3-4,9,11,16H,5-8H2,1-2H3,(H,17,19);1H.
What are the key properties of N-[2-bromo-4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride?
N-[2-bromo-4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride has a molecular weight of 426.76 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride is sourced from PubChem (CID 120710147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).