1-(3-chloro-4-pyridinyl)-4-(3,4-difluorophenyl)sulfonylpiperazine

C15H14ClF2N3O2S — CID 133352307

IUPAC1-(3-chloro-4-pyridinyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C15H14ClF2N3O2S/c16-12-10-19-4-3-15(12)20-5-7-21(8-6-20)24(22,23)11-1-2-13(17)14(18)9-11/h1-4,9-10H,5-8H2
InChIKeyMKFWYHUMVIFSSZ-UHFFFAOYSA-N
MW373.81 g/mol
LogP2.52
Rot. Bonds3

About 1-(3-chloro-4-pyridinyl)-4-(3,4-difluorophenyl)sulfonylpiperazine

1-(3-chloro-4-pyridinyl)-4-(3,4-difluorophenyl)sulfonylpiperazine (PubChem CID 133352307) has the molecular formula C15H14ClF2N3O2S and a molecular weight of 373.81 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-4-(3,4-difluorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
PubChem CID133352307
Molecular FormulaC15H14ClF2N3O2S
Molecular Weight373.81 g/mol
Exact Mass373.05
IUPAC Name1-(3-chloro-4-pyridinyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C15H14ClF2N3O2S/c16-12-10-19-4-3-15(12)20-5-7-21(8-6-20)24(22,23)11-1-2-13(17)14(18)9-11/h1-4,9-10H,5-8H2
InChIKeyMKFWYHUMVIFSSZ-UHFFFAOYSA-N
XLogP2.52
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.81
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-pyridinyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine
CID 133358239
1-(3-chloro-4-pyridinyl)-4-(4-methoxyphenyl)sulfonylpiperazine
CID 136512660
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine
CID 23762678
1-(5-bromothiophen-2-yl)sulfonyl-4-(3-chloro-4-pyridinyl)piperazine
CID 133351705
7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 2957990
1-(2-chloroethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
CID 63397139
4-cyclopropylidene-1-(3,4-difluorophenyl)sulfonylpiperidine
CID 121187202
1-(3,4-difluorophenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3700743
1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 3708259
1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 154834810
1-(4-chlorophenyl)sulfonyl-4-[(3-chloro-4-pyridinyl)methyl]piperazine
CID 126766793
6-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpyridazin-4-amine
CID 71807510

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-4-(3,4-difluorophenyl)sulfonylpiperazine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-4-(3,4-difluorophenyl)sulfonylpiperazine (CID 133352307) is 1-(3-chloro-4-pyridinyl)-4-(3,4-difluorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-4-(3,4-difluorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-4-(3,4-difluorophenyl)sulfonylpiperazine is O=S(=O)(c1ccc(F)c(F)c1)N1CCN(c2ccncc2Cl)CC1.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-4-(3,4-difluorophenyl)sulfonylpiperazine?
The InChIKey is MKFWYHUMVIFSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N3O2S/c16-12-10-19-4-3-15(12)20-5-7-21(8-6-20)24(22,23)11-1-2-13(17)14(18)9-11/h1-4,9-10H,5-8H2.
What are the key properties of 1-(3-chloro-4-pyridinyl)-4-(3,4-difluorophenyl)sulfonylpiperazine?
1-(3-chloro-4-pyridinyl)-4-(3,4-difluorophenyl)sulfonylpiperazine has a molecular weight of 373.81 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-4-(3,4-difluorophenyl)sulfonylpiperazine is sourced from PubChem (CID 133352307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).