[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] benzenesulfinate

C18H19ClN2O4S — CID 5189792

IUPAC[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] benzenesulfinate
SMILESO=C(COS(=O)c1ccccc1)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C18H19ClN2O4S/c19-14-6-7-17(21-8-10-24-11-9-21)16(12-14)20-18(22)13-25-26(23)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,20,22)
InChIKeyVLCQEFPQZGHLHL-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.85
Rot. Bonds6

About [2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] benzenesulfinate

[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] benzenesulfinate (PubChem CID 5189792) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is [2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] benzenesulfinate.

Molecular Properties

Compound Name[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] benzenesulfinate
PubChem CID5189792
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] benzenesulfinate
SMILESO=C(COS(=O)c1ccccc1)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C18H19ClN2O4S/c19-14-6-7-17(21-8-10-24-11-9-21)16(12-14)20-18(22)13-25-26(23)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,20,22)
InChIKeyVLCQEFPQZGHLHL-UHFFFAOYSA-N
XLogP2.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(4-chlorophenyl)-4-(morpholin-4-yl)benzene-1-sulfonamide
CID 3875844
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2413278
4-chloro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
CID 4794708
N-(4-chloro-2-fluorophenyl)-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide
CID 4969184
N-(4-chlorophenyl)-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide
CID 16300183
N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 44522274
N-[4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]phenyl]acetamide
CID 2100353
2-(5-Chloro-2-morpholinoanilino)-2-oxoethyl 4-methylbenzenesulfinate
CID 1489371
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2992178
2-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzenesulfonamide
CID 4816803
2-[(4-chlorophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4832932
1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 2677675

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] benzenesulfinate?
The IUPAC name of [2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] benzenesulfinate (CID 5189792) is [2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] benzenesulfinate.
What is the SMILES notation for [2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] benzenesulfinate?
The canonical SMILES for [2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] benzenesulfinate is O=C(COS(=O)c1ccccc1)Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of [2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] benzenesulfinate?
The InChIKey is VLCQEFPQZGHLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c19-14-6-7-17(21-8-10-24-11-9-21)16(12-14)20-18(22)13-25-26(23)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,20,22).
What are the key properties of [2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] benzenesulfinate?
[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] benzenesulfinate has a molecular weight of 394.88 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] benzenesulfinate is sourced from PubChem (CID 5189792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).