1-[[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine

C16H17BrClN3O3S — CID 2540560

IUPAC1-[[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(Oc3ccc(Br)cc3Cl)nc2)CC1
InChIInChI=1S/C16H17BrClN3O3S/c1-20-6-8-21(9-7-20)25(22,23)13-3-5-16(19-11-13)24-15-4-2-12(17)10-14(15)18/h2-5,10-11H,6-9H2,1H3
InChIKeySCPZFMFNCZXQJG-UHFFFAOYSA-N
MW446.75 g/mol
LogP3.23
Rot. Bonds4

About 1-[[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine

1-[[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine (PubChem CID 2540560) has the molecular formula C16H17BrClN3O3S and a molecular weight of 446.75 g/mol. Its IUPAC name is 1-[[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
PubChem CID2540560
Molecular FormulaC16H17BrClN3O3S
Molecular Weight446.75 g/mol
Exact Mass444.99
IUPAC Name1-[[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(Oc3ccc(Br)cc3Cl)nc2)CC1
InChIInChI=1S/C16H17BrClN3O3S/c1-20-6-8-21(9-7-20)25(22,23)13-3-5-16(19-11-13)24-15-4-2-12(17)10-14(15)18/h2-5,10-11H,6-9H2,1H3
InChIKeySCPZFMFNCZXQJG-UHFFFAOYSA-N
XLogP3.23
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.75
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 4791531
2-(4-bromo-2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 4922905
6-(2-chloro-4-methylphenoxy)pyridine-3-sulfonyl chloride
CID 112572733
6-(4-bromo-2-chlorophenoxy)pyridine-3-carbaldehyde
CID 80631140
5-(4-methylpiperazin-1-yl)sulfonylpyridine-2-carbaldehyde
CID 135189817
2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]acetamide
CID 100814466
4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride
CID 43114279
(E)-3-[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 80633344
N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 5268226
2-methoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268012
5-ethylsulfonyl-2-(2,4,5-trichlorophenoxy)pyridine
CID 13102727
4-(benzenesulfonyl)-N-[3-(4-bromo-2-chlorophenoxy)propyl]piperazine-1-carboxamide
CID 108882635

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine?
The IUPAC name of 1-[[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine (CID 2540560) is 1-[[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine?
The canonical SMILES for 1-[[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine is CN1CCN(S(=O)(=O)c2ccc(Oc3ccc(Br)cc3Cl)nc2)CC1.
What is the InChIKey of 1-[[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine?
The InChIKey is SCPZFMFNCZXQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN3O3S/c1-20-6-8-21(9-7-20)25(22,23)13-3-5-16(19-11-13)24-15-4-2-12(17)10-14(15)18/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-[[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine?
1-[[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine has a molecular weight of 446.75 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine is sourced from PubChem (CID 2540560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).