(3-aminopyrazin-2-yl)-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methanone

C15H16BrN5O3S — CID 16594148

IUPAC(3-aminopyrazin-2-yl)-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methanone
SMILESNc1nccnc1C(=O)N1CCN(S(=O)(=O)c2ccccc2Br)CC1
InChIInChI=1S/C15H16BrN5O3S/c16-11-3-1-2-4-12(11)25(23,24)21-9-7-20(8-10-21)15(22)13-14(17)19-6-5-18-13/h1-6H,7-10H2,(H2,17,19)
InChIKeyRZPARLQFDDLZDP-UHFFFAOYSA-N
MW426.30 g/mol
LogP0.97
Rot. Bonds3

About (3-aminopyrazin-2-yl)-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methanone

(3-aminopyrazin-2-yl)-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 16594148) has the molecular formula C15H16BrN5O3S and a molecular weight of 426.30 g/mol. Its IUPAC name is (3-aminopyrazin-2-yl)-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrazin-2-yl)-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID16594148
Molecular FormulaC15H16BrN5O3S
Molecular Weight426.30 g/mol
Exact Mass425.02
IUPAC Name(3-aminopyrazin-2-yl)-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methanone
SMILESNc1nccnc1C(=O)N1CCN(S(=O)(=O)c2ccccc2Br)CC1
InChIInChI=1S/C15H16BrN5O3S/c16-11-3-1-2-4-12(11)25(23,24)21-9-7-20(8-10-21)15(22)13-14(17)19-6-5-18-13/h1-6H,7-10H2,(H2,17,19)
InChIKeyRZPARLQFDDLZDP-UHFFFAOYSA-N
XLogP0.97
TPSA109.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-aminopyrazin-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 18274312
(3-aminopyrazin-2-yl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 24596233
[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 55476348
(3-aminopyrazin-2-yl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 43048920
tert-butyl 4-(2-bromophenyl)sulfonylpiperazine-1-carboxylate
CID 46743486
4-(2-bromophenyl)sulfonyl-N-ethoxypiperazine-1-carboxamide
CID 18133600
[4-[(2-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-cyclopropylmethanone
CID 65425898
4-(2-bromophenyl)sulfonylpiperazine-1-carbaldehyde
CID 3858856
4-(2-bromophenyl)sulfonyl-1,4-thiazinane 1-oxide
CID 54975760
(3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95315165
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 26757131
2-[4-(3-aminopyrazine-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31152252

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrazin-2-yl)-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (3-aminopyrazin-2-yl)-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methanone (CID 16594148) is (3-aminopyrazin-2-yl)-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (3-aminopyrazin-2-yl)-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (3-aminopyrazin-2-yl)-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methanone is Nc1nccnc1C(=O)N1CCN(S(=O)(=O)c2ccccc2Br)CC1.
What is the InChIKey of (3-aminopyrazin-2-yl)-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is RZPARLQFDDLZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5O3S/c16-11-3-1-2-4-12(11)25(23,24)21-9-7-20(8-10-21)15(22)13-14(17)19-6-5-18-13/h1-6H,7-10H2,(H2,17,19).
What are the key properties of (3-aminopyrazin-2-yl)-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methanone?
(3-aminopyrazin-2-yl)-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 426.30 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrazin-2-yl)-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 16594148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).