2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone

C16H21ClN2O5S — CID 6493060

IUPAC2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)N1CCCC1
InChIInChI=1S/C16H21ClN2O5S/c17-14-11-13(25(21,22)19-7-9-23-10-8-19)3-4-15(14)24-12-16(20)18-5-1-2-6-18/h3-4,11H,1-2,5-10,12H2
InChIKeyBUMCAGWJJXAEMS-UHFFFAOYSA-N
MW388.87 g/mol
LogP1.36
Rot. Bonds5

About 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone

2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone (PubChem CID 6493060) has the molecular formula C16H21ClN2O5S and a molecular weight of 388.87 g/mol. Its IUPAC name is 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
PubChem CID6493060
Molecular FormulaC16H21ClN2O5S
Molecular Weight388.87 g/mol
Exact Mass388.09
IUPAC Name2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)N1CCCC1
InChIInChI=1S/C16H21ClN2O5S/c17-14-11-13(25(21,22)19-7-9-23-10-8-19)3-4-15(14)24-12-16(20)18-5-1-2-6-18/h3-4,11H,1-2,5-10,12H2
InChIKeyBUMCAGWJJXAEMS-UHFFFAOYSA-N
XLogP1.36
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
CID 6459962
1-[(3-Chloro-4-methoxyphenyl)sulfonyl]-4-(1-pyrrolidinylcarbonyl)piperidine
CID 1008083
4-(3-Chloro-4-methoxycarbonylmethoxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester
CID 1090408
4-({1-[(3-Chloro-4-methoxyphenyl)sulfonyl]-4-piperidinyl}carbonyl)morpholine
CID 1093374
2-{2-chloro-4-[(cyclohexylamino)sulfonyl]phenoxy}-N-(tetrahydro-2-furanylmethyl)acetamide
CID 2964000
3-chloro-N-cyclohexyl-4-[2-(4-methyl-1-piperazinyl)-2-oxoethoxy]benzenesulfonamide
CID 2964001
1-{[2-Chloro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetyl}-4-phenylpiperazine
CID 2972528
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 4553739
2-[2-Chloro-4-(morpholine-4-sulfonyl)-phenoxy]-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 4846510
1-Piperidin-1-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanone
CID 1006065
Methyl 1-[2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-4-carboxylate
CID 3369754
1-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-2-phenoxyethanone
CID 1074724

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone (CID 6493060) is 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone is O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)N1CCCC1.
What is the InChIKey of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone?
The InChIKey is BUMCAGWJJXAEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O5S/c17-14-11-13(25(21,22)19-7-9-23-10-8-19)3-4-15(14)24-12-16(20)18-5-1-2-6-18/h3-4,11H,1-2,5-10,12H2.
What are the key properties of 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone?
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone has a molecular weight of 388.87 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 6493060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).