4-bromo-N-(4-piperazin-1-ylsulfonylphenyl)pyridin-2-amine

C15H17BrN4O2S — CID 166063490

IUPAC4-bromo-N-(4-piperazin-1-ylsulfonylphenyl)pyridin-2-amine
SMILESO=S(=O)(c1ccc(Nc2cc(Br)ccn2)cc1)N1CCNCC1
InChIInChI=1S/C15H17BrN4O2S/c16-12-5-6-18-15(11-12)19-13-1-3-14(4-2-13)23(21,22)20-9-7-17-8-10-20/h1-6,11,17H,7-10H2,(H,18,19)
InChIKeyYJLOOARBGVUCEG-UHFFFAOYSA-N
MW397.30 g/mol
LogP2.18
Rot. Bonds4

About 4-bromo-N-(4-piperazin-1-ylsulfonylphenyl)pyridin-2-amine

4-bromo-N-(4-piperazin-1-ylsulfonylphenyl)pyridin-2-amine (PubChem CID 166063490) has the molecular formula C15H17BrN4O2S and a molecular weight of 397.30 g/mol. Its IUPAC name is 4-bromo-N-(4-piperazin-1-ylsulfonylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-bromo-N-(4-piperazin-1-ylsulfonylphenyl)pyridin-2-amine
PubChem CID166063490
Molecular FormulaC15H17BrN4O2S
Molecular Weight397.30 g/mol
Exact Mass396.03
IUPAC Name4-bromo-N-(4-piperazin-1-ylsulfonylphenyl)pyridin-2-amine
SMILESO=S(=O)(c1ccc(Nc2cc(Br)ccn2)cc1)N1CCNCC1
InChIInChI=1S/C15H17BrN4O2S/c16-12-5-6-18-15(11-12)19-13-1-3-14(4-2-13)23(21,22)20-9-7-17-8-10-20/h1-6,11,17H,7-10H2,(H,18,19)
InChIKeyYJLOOARBGVUCEG-UHFFFAOYSA-N
XLogP2.18
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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(4-piperazin-1-ylsulfonylphenyl)thiourea
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4-N-(4-fluorophenyl)-2-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
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4-[(2,6-dimethyl-3-pyridinyl)oxy]-N-(4-piperidin-1-ylsulfonylphenyl)pyridin-2-amine
CID 68941098
1-(4-methylphenyl)sulfonyl-1,4,7-triazonane;1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane
CID 172867320
3-(azepan-1-ylsulfonyl)-N-(4-bromo-2-pyridinyl)benzamide
CID 90342568
piperazin-1-yl-[4-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-2-yl]amino]phenyl]methanone
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5-[(E)-2-(6-chloro-2H-benzotriazol-4-yl)ethenyl]-N-(4-piperazin-1-ylsulfonylphenyl)pyrimidin-2-amine
CID 16662525
4-[(E)-2-[2-[4-(1,4-diazepan-1-ylsulfonyl)anilino]pyrimidin-5-yl]ethenyl]benzenesulfonamide
CID 16662444
1-(3-bromo-4-ethoxyphenyl)sulfonylpiperazine
CID 119961758
2,2,2-trifluoro-N-(4-piperazin-1-ylsulfonylphenyl)acetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-piperazin-1-ylsulfonylphenyl)pyridin-2-amine?
The IUPAC name of 4-bromo-N-(4-piperazin-1-ylsulfonylphenyl)pyridin-2-amine (CID 166063490) is 4-bromo-N-(4-piperazin-1-ylsulfonylphenyl)pyridin-2-amine.
What is the SMILES notation for 4-bromo-N-(4-piperazin-1-ylsulfonylphenyl)pyridin-2-amine?
The canonical SMILES for 4-bromo-N-(4-piperazin-1-ylsulfonylphenyl)pyridin-2-amine is O=S(=O)(c1ccc(Nc2cc(Br)ccn2)cc1)N1CCNCC1.
What is the InChIKey of 4-bromo-N-(4-piperazin-1-ylsulfonylphenyl)pyridin-2-amine?
The InChIKey is YJLOOARBGVUCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O2S/c16-12-5-6-18-15(11-12)19-13-1-3-14(4-2-13)23(21,22)20-9-7-17-8-10-20/h1-6,11,17H,7-10H2,(H,18,19).
What are the key properties of 4-bromo-N-(4-piperazin-1-ylsulfonylphenyl)pyridin-2-amine?
4-bromo-N-(4-piperazin-1-ylsulfonylphenyl)pyridin-2-amine has a molecular weight of 397.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-piperazin-1-ylsulfonylphenyl)pyridin-2-amine is sourced from PubChem (CID 166063490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).