[4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]piperazin-1-yl]-(5-pyridin-4-ylpyrazin-2-yl)methanone

C21H18ClN7O3S — CID 22710248

IUPAC[4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]piperazin-1-yl]-(5-pyridin-4-ylpyrazin-2-yl)methanone
SMILESO=C(c1cnc(-c2ccncc2)cn1)N1CCN(S(=O)(=O)c2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C21H18ClN7O3S/c22-15-1-2-16-17(11-15)27-21(26-16)33(31,32)29-9-7-28(8-10-29)20(30)19-13-24-18(12-25-19)14-3-5-23-6-4-14/h1-6,11-13H,7-10H2,(H,26,27)
InChIKeyKHHRXJAYLPQIQI-UHFFFAOYSA-N
MW483.94 g/mol
LogP2.21
Rot. Bonds4

About [4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]piperazin-1-yl]-(5-pyridin-4-ylpyrazin-2-yl)methanone

[4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]piperazin-1-yl]-(5-pyridin-4-ylpyrazin-2-yl)methanone (PubChem CID 22710248) has the molecular formula C21H18ClN7O3S and a molecular weight of 483.94 g/mol. Its IUPAC name is [4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]piperazin-1-yl]-(5-pyridin-4-ylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]piperazin-1-yl]-(5-pyridin-4-ylpyrazin-2-yl)methanone
PubChem CID22710248
Molecular FormulaC21H18ClN7O3S
Molecular Weight483.94 g/mol
Exact Mass483.09
IUPAC Name[4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]piperazin-1-yl]-(5-pyridin-4-ylpyrazin-2-yl)methanone
SMILESO=C(c1cnc(-c2ccncc2)cn1)N1CCN(S(=O)(=O)c2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C21H18ClN7O3S/c22-15-1-2-16-17(11-15)27-21(26-16)33(31,32)29-9-7-28(8-10-29)20(30)19-13-24-18(12-25-19)14-3-5-23-6-4-14/h1-6,11-13H,7-10H2,(H,26,27)
InChIKeyKHHRXJAYLPQIQI-UHFFFAOYSA-N
XLogP2.21
TPSA125.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.94
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]piperazin-1-yl]-[5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]methanone
CID 22710525
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112844718
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 9496675
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 16506603
[4-[(5-chloro-3-hydroxy-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone
CID 22710520
[4-[(6-chloro-1-benzofuran-2-yl)sulfonyl]piperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 22627981
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone;hydrochloride
CID 22709607
[4-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 22628244
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 2508425
(4-chloro-2-pyridinyl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 16560830
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-[5-(3-fluoro-4-pyridinyl)pyrimidin-2-yl]methanone
CID 22709919
[4-[4-(4-chlorophenyl)phenyl]sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 22628235

Frequently Asked Questions

What is the IUPAC name of [4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]piperazin-1-yl]-(5-pyridin-4-ylpyrazin-2-yl)methanone?
The IUPAC name of [4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]piperazin-1-yl]-(5-pyridin-4-ylpyrazin-2-yl)methanone (CID 22710248) is [4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]piperazin-1-yl]-(5-pyridin-4-ylpyrazin-2-yl)methanone.
What is the SMILES notation for [4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]piperazin-1-yl]-(5-pyridin-4-ylpyrazin-2-yl)methanone?
The canonical SMILES for [4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]piperazin-1-yl]-(5-pyridin-4-ylpyrazin-2-yl)methanone is O=C(c1cnc(-c2ccncc2)cn1)N1CCN(S(=O)(=O)c2nc3ccc(Cl)cc3[nH]2)CC1.
What is the InChIKey of [4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]piperazin-1-yl]-(5-pyridin-4-ylpyrazin-2-yl)methanone?
The InChIKey is KHHRXJAYLPQIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN7O3S/c22-15-1-2-16-17(11-15)27-21(26-16)33(31,32)29-9-7-28(8-10-29)20(30)19-13-24-18(12-25-19)14-3-5-23-6-4-14/h1-6,11-13H,7-10H2,(H,26,27).
What are the key properties of [4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]piperazin-1-yl]-(5-pyridin-4-ylpyrazin-2-yl)methanone?
[4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]piperazin-1-yl]-(5-pyridin-4-ylpyrazin-2-yl)methanone has a molecular weight of 483.94 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]piperazin-1-yl]-(5-pyridin-4-ylpyrazin-2-yl)methanone is sourced from PubChem (CID 22710248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).