N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide

C14H20N2O4S — CID 51293136

IUPACN,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
SMILESCC1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCO1
InChIInChI=1S/C14H20N2O4S/c1-11-10-16(7-8-20-11)14(17)12-5-4-6-13(9-12)21(18,19)15(2)3/h4-6,9,11H,7-8,10H2,1-3H3
InChIKeyUHUBGUNDYJXOMZ-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.80
Rot. Bonds3

About N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide

N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide (PubChem CID 51293136) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
PubChem CID51293136
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
SMILESCC1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCO1
InChIInChI=1S/C14H20N2O4S/c1-11-10-16(7-8-20-11)14(17)12-5-4-6-13(9-12)21(18,19)15(2)3/h4-6,9,11H,7-8,10H2,1-3H3
InChIKeyUHUBGUNDYJXOMZ-UHFFFAOYSA-N
XLogP0.80
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethylmorpholine-4-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 43070657
N,N-dimethyl-3-(2-phenylmorpholine-4-carbonyl)benzenesulfonamide
CID 110354508
(2-methylmorpholin-4-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 110354731
N,N,2-trimethyl-5-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 110292445
N,N-dimethyl-3-(2,5,5-trimethylmorpholine-4-carbonyl)benzenesulfonamide
CID 110353783
N,N,2,3-tetramethyl-5-[(2R)-2-methylmorpholine-4-carbonyl]benzenesulfonamide
CID 42000467
N,N-dimethyl-3-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119492403
N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 110354676
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 16580141
3-(2-methyl-1,4-oxazepane-4-carbonyl)benzoic acid
CID 62967125
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 18289694

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide (CID 51293136) is N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide is CC1CN(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCO1.
What is the InChIKey of N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is UHUBGUNDYJXOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-11-10-16(7-8-20-11)14(17)12-5-4-6-13(9-12)21(18,19)15(2)3/h4-6,9,11H,7-8,10H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide?
N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 51293136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).