2,5-dichloro-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

C13H16Cl2N2O4S — CID 1083005

IUPAC2,5-dichloro-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCN(CC(=O)N1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O4S/c1-16(9-13(18)17-4-6-21-7-5-17)22(19,20)12-8-10(14)2-3-11(12)15/h2-3,8H,4-7,9H2,1H3
InChIKeyDEEVDZRETLGEQN-UHFFFAOYSA-N
MW367.25 g/mol
LogP1.47
Rot. Bonds4

About 2,5-dichloro-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

2,5-dichloro-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 1083005) has the molecular formula C13H16Cl2N2O4S and a molecular weight of 367.25 g/mol. Its IUPAC name is 2,5-dichloro-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID1083005
Molecular FormulaC13H16Cl2N2O4S
Molecular Weight367.25 g/mol
Exact Mass366.02
IUPAC Name2,5-dichloro-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCN(CC(=O)N1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O4S/c1-16(9-13(18)17-4-6-21-7-5-17)22(19,20)12-8-10(14)2-3-11(12)15/h2-3,8H,4-7,9H2,1H3
InChIKeyDEEVDZRETLGEQN-UHFFFAOYSA-N
XLogP1.47
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 2419857
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
ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate
CID 1073012
2,5-Dichloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
CID 1082969
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide
CID 2960907
Isopropyl {4-[(2,5-dichlorophenyl)sulfonyl]piperazin-1-yl}acetate
CID 3242916
((2,5-Dichlorophenyl)sulfonyl)(2-morpholin-4-ylethyl)amine
CID 779520
N-ethyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 2987913
4-chloro-N-ethyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 935339
Ethyl 4-((2,5-dichlorophenyl)sulfonyl)piperazinecarboxylate
CID 647783
4-Chloro-N-cyclohexyl-N-(2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 987000

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 1083005) is 2,5-dichloro-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is CN(CC(=O)N1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is DEEVDZRETLGEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O4S/c1-16(9-13(18)17-4-6-21-7-5-17)22(19,20)12-8-10(14)2-3-11(12)15/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 2,5-dichloro-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
2,5-dichloro-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide has a molecular weight of 367.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 1083005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).