cyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone

C19H24FN3O5S — CID 32651804

IUPACcyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H24FN3O5S/c20-17-4-3-15(29(26,27)23-9-11-28-12-10-23)13-16(17)19(25)22-7-5-21(6-8-22)18(24)14-1-2-14/h3-4,13-14H,1-2,5-12H2
InChIKeyWSOHORZOMIXVJM-UHFFFAOYSA-N
MW425.48 g/mol
LogP0.54
Rot. Bonds4

About cyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone

cyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone (PubChem CID 32651804) has the molecular formula C19H24FN3O5S and a molecular weight of 425.48 g/mol. Its IUPAC name is cyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone
PubChem CID32651804
Molecular FormulaC19H24FN3O5S
Molecular Weight425.48 g/mol
Exact Mass425.14
IUPAC Namecyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H24FN3O5S/c20-17-4-3-15(29(26,27)23-9-11-28-12-10-23)13-16(17)19(25)22-7-5-21(6-8-22)18(24)14-1-2-14/h3-4,13-14H,1-2,5-12H2
InChIKeyWSOHORZOMIXVJM-UHFFFAOYSA-N
XLogP0.54
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]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

(2,5-difluorophenyl)-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55964769
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 17430356
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
CID 55929411
tert-butyl N-[1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]carbamate
CID 55973425
[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
CID 61107768
(2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(3-methylmorpholin-4-yl)methanone
CID 55612788
2-fluoro-5-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 62988361
(2,5-difluorophenyl)-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 30485284
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 4850277
2,3-dihydroindol-1-yl-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone
CID 2531136
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 26590808
[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
CID 39633013

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone (CID 32651804) is cyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone is O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is WSOHORZOMIXVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O5S/c20-17-4-3-15(29(26,27)23-9-11-28-12-10-23)13-16(17)19(25)22-7-5-21(6-8-22)18(24)14-1-2-14/h3-4,13-14H,1-2,5-12H2.
What are the key properties of cyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone?
cyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 425.48 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 32651804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).