[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone

C21H24N2O7S2 — CID 90593367

IUPAC[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESCOc1ccc(S(=O)(=O)C2CN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1
InChIInChI=1S/C21H24N2O7S2/c1-29-17-4-8-18(9-5-17)31(25,26)20-14-22(15-20)21(24)16-2-6-19(7-3-16)32(27,28)23-10-12-30-13-11-23/h2-9,20H,10-15H2,1H3
InChIKeyTXCFJSGGENYQSR-UHFFFAOYSA-N
MW480.56 g/mol
LogP1.01
Rot. Bonds6

About [3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone

[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 90593367) has the molecular formula C21H24N2O7S2 and a molecular weight of 480.56 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID90593367
Molecular FormulaC21H24N2O7S2
Molecular Weight480.56 g/mol
Exact Mass480.10
IUPAC Name[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESCOc1ccc(S(=O)(=O)C2CN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1
InChIInChI=1S/C21H24N2O7S2/c1-29-17-4-8-18(9-5-17)31(25,26)20-14-22(15-20)21(24)16-2-6-19(7-3-16)32(27,28)23-10-12-30-13-11-23/h2-9,20H,10-15H2,1H3
InChIKeyTXCFJSGGENYQSR-UHFFFAOYSA-N
XLogP1.01
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone with MolForge

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Related Compounds

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 2332587
[4-(3-methoxyphenyl)phenyl]-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone
CID 72718885
(3-methoxy-2-methylindazol-6-yl)-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]methanone
CID 90593436
[3-(ethoxymethyl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 110602769
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100678969
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 26868880
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 8803149
(4-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;oxalic acid
CID 126477379
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 26203941
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of [3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone (CID 90593367) is [3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for [3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for [3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone is COc1ccc(S(=O)(=O)C2CN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is TXCFJSGGENYQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O7S2/c1-29-17-4-8-18(9-5-17)31(25,26)20-14-22(15-20)21(24)16-2-6-19(7-3-16)32(27,28)23-10-12-30-13-11-23/h2-9,20H,10-15H2,1H3.
What are the key properties of [3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone?
[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 480.56 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)sulfonylazetidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 90593367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).