(6-chloro-3-pyridinyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone

C15H15ClN4O3S — CID 39227234

IUPAC(6-chloro-3-pyridinyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Cl)nc1)N1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C15H15ClN4O3S/c16-14-4-3-12(10-18-14)15(21)19-6-8-20(9-7-19)24(22,23)13-2-1-5-17-11-13/h1-5,10-11H,6-9H2
InChIKeyRVNHQOVDZIZEOH-UHFFFAOYSA-N
MW366.83 g/mol
LogP1.28
Rot. Bonds3

About (6-chloro-3-pyridinyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone

(6-chloro-3-pyridinyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 39227234) has the molecular formula C15H15ClN4O3S and a molecular weight of 366.83 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone
PubChem CID39227234
Molecular FormulaC15H15ClN4O3S
Molecular Weight366.83 g/mol
Exact Mass366.06
IUPAC Name(6-chloro-3-pyridinyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Cl)nc1)N1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C15H15ClN4O3S/c16-14-4-3-12(10-18-14)15(21)19-6-8-20(9-7-19)24(22,23)13-2-1-5-17-11-13/h1-5,10-11H,6-9H2
InChIKeyRVNHQOVDZIZEOH-UHFFFAOYSA-N
XLogP1.28
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 26757204
1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 154834810
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;hydrochloride
CID 22711019
(4-methoxy-3-nitrophenyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone
CID 39227185
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 39565978
(6-chloro-3-pyridinyl)-[4-[(2-pyridin-3-ylphenyl)methyl]piperazin-1-yl]methanone
CID 134799669
(6-chloro-3-pyridinyl)-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]methanone
CID 134062230
[4-(benzenesulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 27509869
3-(2,3-dichlorophenyl)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-one
CID 46460569
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(2-chloro-4-pyridinyl)methanone
CID 34182939
pyridin-3-yl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496594

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (6-chloro-3-pyridinyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone (CID 39227234) is (6-chloro-3-pyridinyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-chloro-3-pyridinyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (6-chloro-3-pyridinyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone is O=C(c1ccc(Cl)nc1)N1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of (6-chloro-3-pyridinyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is RVNHQOVDZIZEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O3S/c16-14-4-3-12(10-18-14)15(21)19-6-8-20(9-7-19)24(22,23)13-2-1-5-17-11-13/h1-5,10-11H,6-9H2.
What are the key properties of (6-chloro-3-pyridinyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone?
(6-chloro-3-pyridinyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 366.83 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 39227234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).