5-bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylpyridin-2-amine

C16H19BrN4O3S — CID 22515858

IUPAC5-bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylpyridin-2-amine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C16H19BrN4O3S/c1-24-14-5-3-2-4-13(14)20-6-8-21(9-7-20)25(22,23)15-10-12(17)11-19-16(15)18/h2-5,10-11H,6-9H2,1H3,(H2,18,19)
InChIKeyYUKDLDLFUFBNLY-UHFFFAOYSA-N
MW427.32 g/mol
LogP1.95
Rot. Bonds4

About 5-bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylpyridin-2-amine

5-bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylpyridin-2-amine (PubChem CID 22515858) has the molecular formula C16H19BrN4O3S and a molecular weight of 427.32 g/mol. Its IUPAC name is 5-bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylpyridin-2-amine
PubChem CID22515858
Molecular FormulaC16H19BrN4O3S
Molecular Weight427.32 g/mol
Exact Mass426.04
IUPAC Name5-bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylpyridin-2-amine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C16H19BrN4O3S/c1-24-14-5-3-2-4-13(14)20-6-8-21(9-7-20)25(22,23)15-10-12(17)11-19-16(15)18/h2-5,10-11H,6-9H2,1H3,(H2,18,19)
InChIKeyYUKDLDLFUFBNLY-UHFFFAOYSA-N
XLogP1.95
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine
CID 22515867
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 23932557
4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methyl-1,2-oxazol-3-amine
CID 56731158
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 91669754
1-(2-methoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1143543
1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1085530
tert-butyl 4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperazine-1-carboxylate
CID 66820256
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 113077346
4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 2456144
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538299

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylpyridin-2-amine?
The IUPAC name of 5-bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylpyridin-2-amine (CID 22515858) is 5-bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylpyridin-2-amine is COc1ccccc1N1CCN(S(=O)(=O)c2cc(Br)cnc2N)CC1.
What is the InChIKey of 5-bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylpyridin-2-amine?
The InChIKey is YUKDLDLFUFBNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O3S/c1-24-14-5-3-2-4-13(14)20-6-8-21(9-7-20)25(22,23)15-10-12(17)11-19-16(15)18/h2-5,10-11H,6-9H2,1H3,(H2,18,19).
What are the key properties of 5-bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylpyridin-2-amine?
5-bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylpyridin-2-amine has a molecular weight of 427.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylpyridin-2-amine is sourced from PubChem (CID 22515858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).