1-[(6-chloro-3-pyridinyl)sulfonyl]-4-methylpiperazine

C10H14ClN3O2S — CID 822457

IUPAC1-[(6-chloro-3-pyridinyl)sulfonyl]-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C10H14ClN3O2S/c1-13-4-6-14(7-5-13)17(15,16)9-2-3-10(11)12-8-9/h2-3,8H,4-7H2,1H3
InChIKeyKJNDIWBXKRQJHC-UHFFFAOYSA-N
MW275.76 g/mol
LogP0.67
Rot. Bonds2

About 1-[(6-chloro-3-pyridinyl)sulfonyl]-4-methylpiperazine

1-[(6-chloro-3-pyridinyl)sulfonyl]-4-methylpiperazine (PubChem CID 822457) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)sulfonyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(6-chloro-3-pyridinyl)sulfonyl]-4-methylpiperazine
PubChem CID822457
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name1-[(6-chloro-3-pyridinyl)sulfonyl]-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C10H14ClN3O2S/c1-13-4-6-14(7-5-13)17(15,16)9-2-3-10(11)12-8-9/h2-3,8H,4-7H2,1H3
InChIKeyKJNDIWBXKRQJHC-UHFFFAOYSA-N
XLogP0.67
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 50.67
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 1-[(6-chloro-3-pyridinyl)sulfonyl]-4-methylpiperazine?
The IUPAC name of 1-[(6-chloro-3-pyridinyl)sulfonyl]-4-methylpiperazine (CID 822457) is 1-[(6-chloro-3-pyridinyl)sulfonyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(6-chloro-3-pyridinyl)sulfonyl]-4-methylpiperazine?
The canonical SMILES for 1-[(6-chloro-3-pyridinyl)sulfonyl]-4-methylpiperazine is CN1CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)sulfonyl]-4-methylpiperazine?
The InChIKey is KJNDIWBXKRQJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c1-13-4-6-14(7-5-13)17(15,16)9-2-3-10(11)12-8-9/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-[(6-chloro-3-pyridinyl)sulfonyl]-4-methylpiperazine?
1-[(6-chloro-3-pyridinyl)sulfonyl]-4-methylpiperazine has a molecular weight of 275.76 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3-pyridinyl)sulfonyl]-4-methylpiperazine is sourced from PubChem (CID 822457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).