4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,4-thiazinane 1-oxide

C9H10BrClN2O3S2 — CID 54975156

IUPAC4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,4-thiazinane 1-oxide
SMILESO=S1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1
InChIInChI=1S/C9H10BrClN2O3S2/c10-7-5-8(9(11)12-6-7)18(15,16)13-1-3-17(14)4-2-13/h5-6H,1-4H2
InChIKeyRLZVBVQSYCGEJZ-UHFFFAOYSA-N
MW373.68 g/mol
LogP1.25
Rot. Bonds2

About 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,4-thiazinane 1-oxide

4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,4-thiazinane 1-oxide (PubChem CID 54975156) has the molecular formula C9H10BrClN2O3S2 and a molecular weight of 373.68 g/mol. Its IUPAC name is 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,4-thiazinane 1-oxide
PubChem CID54975156
Molecular FormulaC9H10BrClN2O3S2
Molecular Weight373.68 g/mol
Exact Mass371.90
IUPAC Name4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,4-thiazinane 1-oxide
SMILESO=S1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1
InChIInChI=1S/C9H10BrClN2O3S2/c10-7-5-8(9(11)12-6-7)18(15,16)13-1-3-17(14)4-2-13/h5-6H,1-4H2
InChIKeyRLZVBVQSYCGEJZ-UHFFFAOYSA-N
XLogP1.25
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]piperazine-2,6-dione
CID 66083027
5-bromo-2-chloro-3-(4-methoxypiperidin-1-yl)sulfonylpyridine
CID 55870113
1-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-4-(cyclopropylmethyl)piperazine
CID 61059092
(2S,6R)-4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2,6-dimethylmorpholine
CID 103931384
3-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66369806
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methylthiomorpholine
CID 115611975
7-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methoxy-7-azaspiro[3.5]nonane
CID 166416203
2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49245874
2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 61073342
4-(2-chloropyrimidin-5-yl)sulfonyl-1,4-thiazinane 1-oxide
CID 54975901
5-bromo-2-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpyridine
CID 102675668
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-3-methylpiperazin-2-one
CID 63362436

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,4-thiazinane 1-oxide?
The IUPAC name of 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,4-thiazinane 1-oxide (CID 54975156) is 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,4-thiazinane 1-oxide is O=S1CCN(S(=O)(=O)c2cc(Br)cnc2Cl)CC1.
What is the InChIKey of 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,4-thiazinane 1-oxide?
The InChIKey is RLZVBVQSYCGEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O3S2/c10-7-5-8(9(11)12-6-7)18(15,16)13-1-3-17(14)4-2-13/h5-6H,1-4H2.
What are the key properties of 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,4-thiazinane 1-oxide?
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,4-thiazinane 1-oxide has a molecular weight of 373.68 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 54975156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).