4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methylthiomorpholine

C10H12BrClN2O2S2 — CID 115611975

IUPAC4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methylthiomorpholine
SMILESCC1CN(S(=O)(=O)c2cc(Br)cnc2Cl)CCS1
InChIInChI=1S/C10H12BrClN2O2S2/c1-7-6-14(2-3-17-7)18(15,16)9-4-8(11)5-13-10(9)12/h4-5,7H,2-3,6H2,1H3
InChIKeyOVGMCKJWALMKQL-UHFFFAOYSA-N
MW371.71 g/mol
LogP2.62
Rot. Bonds2

About 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methylthiomorpholine

4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methylthiomorpholine (PubChem CID 115611975) has the molecular formula C10H12BrClN2O2S2 and a molecular weight of 371.71 g/mol. Its IUPAC name is 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methylthiomorpholine.

Molecular Properties

Compound Name4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methylthiomorpholine
PubChem CID115611975
Molecular FormulaC10H12BrClN2O2S2
Molecular Weight371.71 g/mol
Exact Mass369.92
IUPAC Name4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methylthiomorpholine
SMILESCC1CN(S(=O)(=O)c2cc(Br)cnc2Cl)CCS1
InChIInChI=1S/C10H12BrClN2O2S2/c1-7-6-14(2-3-17-7)18(15,16)9-4-8(11)5-13-10(9)12/h4-5,7H,2-3,6H2,1H3
InChIKeyOVGMCKJWALMKQL-UHFFFAOYSA-N
XLogP2.62
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.71
LogP ≤ 52.62
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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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methylthiomorpholine?
The IUPAC name of 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methylthiomorpholine (CID 115611975) is 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methylthiomorpholine.
What is the SMILES notation for 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methylthiomorpholine?
The canonical SMILES for 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methylthiomorpholine is CC1CN(S(=O)(=O)c2cc(Br)cnc2Cl)CCS1.
What is the InChIKey of 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methylthiomorpholine?
The InChIKey is OVGMCKJWALMKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O2S2/c1-7-6-14(2-3-17-7)18(15,16)9-4-8(11)5-13-10(9)12/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methylthiomorpholine?
4-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl]-2-methylthiomorpholine has a molecular weight of 371.71 g/mol, XLogP of 2.62, 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]-2-methylthiomorpholine is sourced from PubChem (CID 115611975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).