[4-(6-fluoronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone

C24H21FN4O3S — CID 22628274

IUPAC[4-(6-fluoronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2ccnc2)cc1)N1CCN(S(=O)(=O)c2ccc3cc(F)ccc3c2)CC1
InChIInChI=1S/C24H21FN4O3S/c25-21-5-1-20-16-23(8-4-19(20)15-21)33(31,32)29-13-11-27(12-14-29)24(30)18-2-6-22(7-3-18)28-10-9-26-17-28/h1-10,15-17H,11-14H2
InChIKeyFKIQRYRSFIYNJJ-UHFFFAOYSA-N
MW464.52 g/mol
LogP3.31
Rot. Bonds4

About [4-(6-fluoronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone

[4-(6-fluoronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone (PubChem CID 22628274) has the molecular formula C24H21FN4O3S and a molecular weight of 464.52 g/mol. Its IUPAC name is [4-(6-fluoronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(6-fluoronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone
PubChem CID22628274
Molecular FormulaC24H21FN4O3S
Molecular Weight464.52 g/mol
Exact Mass464.13
IUPAC Name[4-(6-fluoronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2ccnc2)cc1)N1CCN(S(=O)(=O)c2ccc3cc(F)ccc3c2)CC1
InChIInChI=1S/C24H21FN4O3S/c25-21-5-1-20-16-23(8-4-19(20)15-21)33(31,32)29-13-11-27(12-14-29)24(30)18-2-6-22(7-3-18)28-10-9-26-17-28/h1-10,15-17H,11-14H2
InChIKeyFKIQRYRSFIYNJJ-UHFFFAOYSA-N
XLogP3.31
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 26997042
azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 26814319
[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 31793755
1-(4-imidazol-1-ylphenyl)sulfonyl-4-methylpiperazine
CID 14664372
(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-phenylmethanone;oxalic acid
CID 163326596
(4-fluorophenyl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone
CID 8698232
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 26558503
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 7769572
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;hydrochloride
CID 22711019
(4-fluorophenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26181722

Frequently Asked Questions

What is the IUPAC name of [4-(6-fluoronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone?
The IUPAC name of [4-(6-fluoronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone (CID 22628274) is [4-(6-fluoronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone.
What is the SMILES notation for [4-(6-fluoronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone?
The canonical SMILES for [4-(6-fluoronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone is O=C(c1ccc(-n2ccnc2)cc1)N1CCN(S(=O)(=O)c2ccc3cc(F)ccc3c2)CC1.
What is the InChIKey of [4-(6-fluoronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone?
The InChIKey is FKIQRYRSFIYNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3S/c25-21-5-1-20-16-23(8-4-19(20)15-21)33(31,32)29-13-11-27(12-14-29)24(30)18-2-6-22(7-3-18)28-10-9-26-17-28/h1-10,15-17H,11-14H2.
What are the key properties of [4-(6-fluoronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone?
[4-(6-fluoronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone has a molecular weight of 464.52 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-fluoronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone is sourced from PubChem (CID 22628274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).