(5-bromopyrimidin-2-yl)-[4-(5-chloroisoindol-2-yl)sulfonylpiperazin-1-yl]methanone

C17H15BrClN5O3S — CID 22710560

IUPAC(5-bromopyrimidin-2-yl)-[4-(5-chloroisoindol-2-yl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ncc(Br)cn1)N1CCN(S(=O)(=O)n2cc3ccc(Cl)cc3c2)CC1
InChIInChI=1S/C17H15BrClN5O3S/c18-14-8-20-16(21-9-14)17(25)22-3-5-23(6-4-22)28(26,27)24-10-12-1-2-15(19)7-13(12)11-24/h1-2,7-11H,3-6H2
InChIKeyGLIQMHCKLAYWRZ-UHFFFAOYSA-N
MW484.76 g/mol
LogP2.40
Rot. Bonds3

About (5-bromopyrimidin-2-yl)-[4-(5-chloroisoindol-2-yl)sulfonylpiperazin-1-yl]methanone

(5-bromopyrimidin-2-yl)-[4-(5-chloroisoindol-2-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 22710560) has the molecular formula C17H15BrClN5O3S and a molecular weight of 484.76 g/mol. Its IUPAC name is (5-bromopyrimidin-2-yl)-[4-(5-chloroisoindol-2-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromopyrimidin-2-yl)-[4-(5-chloroisoindol-2-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID22710560
Molecular FormulaC17H15BrClN5O3S
Molecular Weight484.76 g/mol
Exact Mass482.98
IUPAC Name(5-bromopyrimidin-2-yl)-[4-(5-chloroisoindol-2-yl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1ncc(Br)cn1)N1CCN(S(=O)(=O)n2cc3ccc(Cl)cc3c2)CC1
InChIInChI=1S/C17H15BrClN5O3S/c18-14-8-20-16(21-9-14)17(25)22-3-5-23(6-4-22)28(26,27)24-10-12-1-2-15(19)7-13(12)11-24/h1-2,7-11H,3-6H2
InChIKeyGLIQMHCKLAYWRZ-UHFFFAOYSA-N
XLogP2.40
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.76
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(5-chloro-1,3-dihydroisoindol-2-yl)sulfonyl]piperazin-1-yl]-(5-pyridin-4-ylpyrimidin-2-yl)methanone
CID 22711059
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-[5-(3-fluoro-4-pyridinyl)pyrimidin-2-yl]methanone
CID 22709919
[4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)methanone
CID 139898155
1-[5-chloro-2-[4-[5-(2-methyl-4-pyridinyl)pyrimidine-2-carbonyl]piperazin-1-yl]sulfonylindol-1-yl]ethanone
CID 22709523
[4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]piperazin-1-yl]-[5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]methanone
CID 22710525
4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid
CID 54489815
[4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-[5-[3-(dimethylamino)propyl]-1,3-thiazol-2-yl]methanone
CID 22710388
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 27829270
(5-bromopyrimidin-2-yl)-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]methanone
CID 139831497
(5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47136662
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-([1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
CID 22709892
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 38170782

Frequently Asked Questions

What is the IUPAC name of (5-bromopyrimidin-2-yl)-[4-(5-chloroisoindol-2-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (5-bromopyrimidin-2-yl)-[4-(5-chloroisoindol-2-yl)sulfonylpiperazin-1-yl]methanone (CID 22710560) is (5-bromopyrimidin-2-yl)-[4-(5-chloroisoindol-2-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-bromopyrimidin-2-yl)-[4-(5-chloroisoindol-2-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (5-bromopyrimidin-2-yl)-[4-(5-chloroisoindol-2-yl)sulfonylpiperazin-1-yl]methanone is O=C(c1ncc(Br)cn1)N1CCN(S(=O)(=O)n2cc3ccc(Cl)cc3c2)CC1.
What is the InChIKey of (5-bromopyrimidin-2-yl)-[4-(5-chloroisoindol-2-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is GLIQMHCKLAYWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClN5O3S/c18-14-8-20-16(21-9-14)17(25)22-3-5-23(6-4-22)28(26,27)24-10-12-1-2-15(19)7-13(12)11-24/h1-2,7-11H,3-6H2.
What are the key properties of (5-bromopyrimidin-2-yl)-[4-(5-chloroisoindol-2-yl)sulfonylpiperazin-1-yl]methanone?
(5-bromopyrimidin-2-yl)-[4-(5-chloroisoindol-2-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 484.76 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromopyrimidin-2-yl)-[4-(5-chloroisoindol-2-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 22710560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).