3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide

C15H22N2O4S — CID 43070657

IUPAC3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide
SMILESCCC1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCO1
InChIInChI=1S/C15H22N2O4S/c1-4-13-11-17(8-9-21-13)15(18)12-6-5-7-14(10-12)22(19,20)16(2)3/h5-7,10,13H,4,8-9,11H2,1-3H3
InChIKeySBSWYFLNNJHPLN-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.19
Rot. Bonds4

About 3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide

3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 43070657) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide
PubChem CID43070657
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide
SMILESCCC1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCO1
InChIInChI=1S/C15H22N2O4S/c1-4-13-11-17(8-9-21-13)15(18)12-6-5-7-14(10-12)22(19,20)16(2)3/h5-7,10,13H,4,8-9,11H2,1-3H3
InChIKeySBSWYFLNNJHPLN-UHFFFAOYSA-N
XLogP1.19
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 51293136
N,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide
CID 110354508
4-chloro-3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 43070690
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
(2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone
CID 43070670
[(2S)-2-ethylmorpholin-4-yl]-[3-[[(R)-methylsulfinyl]methyl]phenyl]methanone
CID 94014410
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650
[3-(chloromethyl)phenyl]-(2-ethyl-1,4-oxazepan-4-yl)methanone
CID 114218306
N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119492403
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 120744386
(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 112705730
3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 120748729

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide (CID 43070657) is 3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide is CCC1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCO1.
What is the InChIKey of 3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is SBSWYFLNNJHPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-4-13-11-17(8-9-21-13)15(18)12-6-5-7-14(10-12)22(19,20)16(2)3/h5-7,10,13H,4,8-9,11H2,1-3H3.
What are the key properties of 3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide?
3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 43070657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).