[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-fluorophenyl)methanone

C17H24FN3O3S — CID 18169368

IUPAC[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C17H24FN3O3S/c18-16-7-5-15(6-8-16)17(22)19-11-13-21(14-12-19)25(23,24)20-9-3-1-2-4-10-20/h5-8H,1-4,9-14H2
InChIKeyOYHRGORTZDPNNE-UHFFFAOYSA-N
MW369.46 g/mol
LogP1.70
Rot. Bonds3

About [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-fluorophenyl)methanone

[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 18169368) has the molecular formula C17H24FN3O3S and a molecular weight of 369.46 g/mol. Its IUPAC name is [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID18169368
Molecular FormulaC17H24FN3O3S
Molecular Weight369.46 g/mol
Exact Mass369.15
IUPAC Name[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C17H24FN3O3S/c18-16-7-5-15(6-8-16)17(22)19-11-13-21(14-12-19)25(23,24)20-9-3-1-2-4-10-20/h5-8H,1-4,9-14H2
InChIKeyOYHRGORTZDPNNE-UHFFFAOYSA-N
XLogP1.70
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorobenzoyl)piperazine-1-sulfonamide
CID 60734135
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 30102573
(4-fluorophenyl)-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798399
(4-ethylsulfonylpiperazin-1-yl)-(4-fluorophenyl)methanone;oxalic acid
CID 171154784
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone
CID 9239681
4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylic acid
CID 67493364
[2-(4-fluoroanilino)phenyl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 30890047
[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 31793755
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223995
[4-(4-fluorophenoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 24610437
[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296

Frequently Asked Questions

What is the IUPAC name of [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-fluorophenyl)methanone (CID 18169368) is [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is OYHRGORTZDPNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3S/c18-16-7-5-15(6-8-16)17(22)19-11-13-21(14-12-19)25(23,24)20-9-3-1-2-4-10-20/h5-8H,1-4,9-14H2.
What are the key properties of [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 369.46 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 18169368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).