2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride

C13H16ClNO4S — CID 65370060

IUPAC2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
SMILESCCc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C13H16ClNO4S/c1-2-10-3-4-11(9-12(10)20(14,17)18)13(16)15-5-7-19-8-6-15/h3-4,9H,2,5-8H2,1H3
InChIKeyJLASGCCUKJMGSS-UHFFFAOYSA-N
MW317.79 g/mol
LogP1.65
Rot. Bonds3

About 2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride

2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride (PubChem CID 65370060) has the molecular formula C13H16ClNO4S and a molecular weight of 317.79 g/mol. Its IUPAC name is 2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
PubChem CID65370060
Molecular FormulaC13H16ClNO4S
Molecular Weight317.79 g/mol
Exact Mass317.05
IUPAC Name2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
SMILESCCc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C13H16ClNO4S/c1-2-10-3-4-11(9-12(10)20(14,17)18)13(16)15-5-7-19-8-6-15/h3-4,9H,2,5-8H2,1H3
InChIKeyJLASGCCUKJMGSS-UHFFFAOYSA-N
XLogP1.65
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.79
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655
5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-ethylbenzenesulfonyl chloride
CID 79179610
[4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 55970681
(4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 26583462
cyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 56512642
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55578649
ethane;(3-ethylphenyl)-morpholin-4-ylmethanone
CID 143725238
8-azaspiro[4.5]decan-8-yl-(4-ethyl-3-methylsulfonylphenyl)methanone
CID 146124156
5-(4-ethylpiperidine-1-carbonyl)-2-methylbenzenesulfonyl chloride
CID 65371176
[2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 119631558
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride (CID 65370060) is 2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride is CCc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride?
The InChIKey is JLASGCCUKJMGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4S/c1-2-10-3-4-11(9-12(10)20(14,17)18)13(16)15-5-7-19-8-6-15/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride?
2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride has a molecular weight of 317.79 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 65370060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).