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

C15H16BrClN4O2S — CID 22515867

IUPAC5-bromo-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine
SMILESNc1ncc(Br)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H16BrClN4O2S/c16-11-8-14(15(18)19-10-11)24(22,23)21-6-4-20(5-7-21)13-3-1-2-12(17)9-13/h1-3,8-10H,4-7H2,(H2,18,19)
InChIKeyVPRZSIIGRGKLAM-UHFFFAOYSA-N
MW431.74 g/mol
LogP2.59
Rot. Bonds3

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

5-bromo-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine (PubChem CID 22515867) has the molecular formula C15H16BrClN4O2S and a molecular weight of 431.74 g/mol. Its IUPAC name is 5-bromo-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine
PubChem CID22515867
Molecular FormulaC15H16BrClN4O2S
Molecular Weight431.74 g/mol
Exact Mass429.99
IUPAC Name5-bromo-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine
SMILESNc1ncc(Br)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H16BrClN4O2S/c16-11-8-14(15(18)19-10-11)24(22,23)21-6-4-20(5-7-21)13-3-1-2-12(17)9-13/h1-3,8-10H,4-7H2,(H2,18,19)
InChIKeyVPRZSIIGRGKLAM-UHFFFAOYSA-N
XLogP2.59
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.74
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17372732
5-bromo-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylpyridin-2-amine
CID 22515858
5-bromo-3-thiomorpholin-4-ylsulfonylpyridin-2-amine
CID 62142835
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine
CID 83970369
1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine
CID 3846260
4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperazin-2-one
CID 62143361
3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 53076904
tert-butyl 4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperazine-1-carboxylate
CID 66820256
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
(3R)-1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 66820212
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-2-methyl-1,3-oxazole
CID 20958920
1-(3-chlorophenyl)-4-(2,3-dichloro-4-methoxyphenyl)sulfonylpiperazine
CID 1210841

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine?
The IUPAC name of 5-bromo-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine (CID 22515867) is 5-bromo-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine is Nc1ncc(Br)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 5-bromo-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine?
The InChIKey is VPRZSIIGRGKLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN4O2S/c16-11-8-14(15(18)19-10-11)24(22,23)21-6-4-20(5-7-21)13-3-1-2-12(17)9-13/h1-3,8-10H,4-7H2,(H2,18,19).
What are the key properties of 5-bromo-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine?
5-bromo-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine has a molecular weight of 431.74 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylpyridin-2-amine is sourced from PubChem (CID 22515867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).