[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone

C17H16F2N2O3S — CID 17455845

IUPAC[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C17H16F2N2O3S/c18-14-6-7-16(15(19)12-14)25(23,24)21-10-8-20(9-11-21)17(22)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyOQXUBPZWNDNUIT-UHFFFAOYSA-N
MW366.39 g/mol
LogP2.11
Rot. Bonds3

About [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone

[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone (PubChem CID 17455845) has the molecular formula C17H16F2N2O3S and a molecular weight of 366.39 g/mol. Its IUPAC name is [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
PubChem CID17455845
Molecular FormulaC17H16F2N2O3S
Molecular Weight366.39 g/mol
Exact Mass366.08
IUPAC Name[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C17H16F2N2O3S/c18-14-6-7-16(15(19)12-14)25(23,24)21-10-8-20(9-11-21)17(22)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyOQXUBPZWNDNUIT-UHFFFAOYSA-N
XLogP2.11
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 26814319
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 9277342
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 26381982
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-phenylmethoxy-4-pyridinyl)methanone
CID 55997871
[4-(2,4-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110810584
3-[4-[4-(2,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one
CID 39966533
1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 167882186
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 27676789
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 31425892
methyl 4-(2,4-difluorophenyl)sulfonylpiperazine-1-carboxylate
CID 110818577
1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 51169740
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone
CID 9239681

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone (CID 17455845) is [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone?
The InChIKey is OQXUBPZWNDNUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3S/c18-14-6-7-16(15(19)12-14)25(23,24)21-10-8-20(9-11-21)17(22)13-4-2-1-3-5-13/h1-7,12H,8-11H2.
What are the key properties of [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone?
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone has a molecular weight of 366.39 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 17455845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).