azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone

C17H23FN2O4S — CID 7964090

IUPACazepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CCCCCC1
InChIInChI=1S/C17H23FN2O4S/c18-15-6-5-14(17(21)19-7-3-1-2-4-8-19)13-16(15)25(22,23)20-9-11-24-12-10-20/h5-6,13H,1-4,7-12H2
InChIKeyNBJILCIUMBHUCA-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.86
Rot. Bonds3

About azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone

azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 7964090) has the molecular formula C17H23FN2O4S and a molecular weight of 370.45 g/mol. Its IUPAC name is azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID7964090
Molecular FormulaC17H23FN2O4S
Molecular Weight370.45 g/mol
Exact Mass370.14
IUPAC Nameazepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CCCCCC1
InChIInChI=1S/C17H23FN2O4S/c18-15-6-5-14(17(21)19-7-3-1-2-4-8-19)13-16(15)25(22,23)20-9-11-24-12-10-20/h5-6,13H,1-4,7-12H2
InChIKeyNBJILCIUMBHUCA-UHFFFAOYSA-N
XLogP1.86
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-difluorophenyl)-[4-(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 55599727
(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 24983009
4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 27243385
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 99697876
N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24634964
5,6-dihydrobenzo[b][1]benzazepin-11-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 3620795
2,3-dihydroindol-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 2334784
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655
cyanomethyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2681686
4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 51881548
azepan-1-yl-(4-piperidin-1-yl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 24531727

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone (CID 7964090) is azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone is O=C(c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is NBJILCIUMBHUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4S/c18-15-6-5-14(17(21)19-7-3-1-2-4-8-19)13-16(15)25(22,23)20-9-11-24-12-10-20/h5-6,13H,1-4,7-12H2.
What are the key properties of azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone?
azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 370.45 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 7964090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).