4-chloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

C14H19ClN2O4S — CID 935339

IUPAC4-chloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCCN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O4S/c1-2-17(11-14(18)16-7-9-21-10-8-16)22(19,20)13-5-3-12(15)4-6-13/h3-6H,2,7-11H2,1H3
InChIKeyVRCOMWUKZUNVQM-UHFFFAOYSA-N
MW346.84 g/mol
LogP1.21
Rot. Bonds5

About 4-chloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

4-chloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 935339) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID935339
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC Name4-chloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCCN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O4S/c1-2-17(11-14(18)16-7-9-21-10-8-16)22(19,20)13-5-3-12(15)4-6-13/h3-6H,2,7-11H2,1H3
InChIKeyVRCOMWUKZUNVQM-UHFFFAOYSA-N
XLogP1.21
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Chloro-benzenesulfonyl)-morpholine
CID 255686
4-chloro-N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 804119
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 2419857
1-[4-(4-Chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 2572434
4-Chloro-N-(1-methyl-2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 2955346
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide
CID 5178492
{3-[(4-Chlorophenyl)sulfonyl]imidazolidin-1-yl}(morpholin-4-yl)methanone
CID 6498821
(2-morpholin-4-yl-2-oxoethyl) (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7869973
Ethyl 4-[(4-chlorophenyl)sulfonyl]-1-piperazinecarboxylate
CID 741725
2-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 4782818
4-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 804278
4-chloro-N-ethyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 934904

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 935339) is 4-chloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is CCN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is VRCOMWUKZUNVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-2-17(11-14(18)16-7-9-21-10-8-16)22(19,20)13-5-3-12(15)4-6-13/h3-6H,2,7-11H2,1H3.
What are the key properties of 4-chloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
4-chloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide has a molecular weight of 346.84 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 935339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).