1-[[6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine

C16H17ClFN3O3S — CID 4791531

IUPAC1-[[6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3Cl)nc2)CC1
InChIInChI=1S/C16H17ClFN3O3S/c1-20-6-8-21(9-7-20)25(22,23)13-3-5-16(19-11-13)24-15-4-2-12(18)10-14(15)17/h2-5,10-11H,6-9H2,1H3
InChIKeyYDUVZABYWQLNMB-UHFFFAOYSA-N
MW385.85 g/mol
LogP2.60
Rot. Bonds4

About 1-[[6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine

1-[[6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine (PubChem CID 4791531) has the molecular formula C16H17ClFN3O3S and a molecular weight of 385.85 g/mol. Its IUPAC name is 1-[[6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
PubChem CID4791531
Molecular FormulaC16H17ClFN3O3S
Molecular Weight385.85 g/mol
Exact Mass385.07
IUPAC Name1-[[6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3Cl)nc2)CC1
InChIInChI=1S/C16H17ClFN3O3S/c1-20-6-8-21(9-7-20)25(22,23)13-3-5-16(19-11-13)24-15-4-2-12(18)10-14(15)17/h2-5,10-11H,6-9H2,1H3
InChIKeyYDUVZABYWQLNMB-UHFFFAOYSA-N
XLogP2.60
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 2540560
5-chloro-2-(2-chloro-4-fluorophenoxy)pyridine
CID 66234554
5-(4-methylpiperazin-1-yl)sulfonylpyridine-2-carbaldehyde
CID 135189817
6-(2-chloro-4-methylphenoxy)pyridine-3-sulfonyl chloride
CID 112572733
methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate
CID 134204705
5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine
CID 107087885
2-[2-chloro-4-(4-methylpiperazin-1-yl)sulfonylphenoxy]acetamide
CID 100814466
1-[[6-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 25409396
(4-fluorophenyl)-[4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)oxy]phenyl]methanone
CID 2539896
2-(2-phenylphenoxy)-5-piperidin-1-ylsulfonylpyridine
CID 2538848
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(4-fluoro-2-methoxyphenyl)piperazine
CID 86959908
3-(2-chloro-4-fluorophenoxy)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 55772570

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine?
The IUPAC name of 1-[[6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine (CID 4791531) is 1-[[6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine?
The canonical SMILES for 1-[[6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine is CN1CCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3Cl)nc2)CC1.
What is the InChIKey of 1-[[6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine?
The InChIKey is YDUVZABYWQLNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O3S/c1-20-6-8-21(9-7-20)25(22,23)13-3-5-16(19-11-13)24-15-4-2-12(18)10-14(15)17/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-[[6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine?
1-[[6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine has a molecular weight of 385.85 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine is sourced from PubChem (CID 4791531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).