N,2,3-trimethyl-5-[(3R)-3-methylmorpholine-4-carbonyl]benzenesulfonamide

C15H22N2O4S — CID 94022775

IUPACN,2,3-trimethyl-5-[(3R)-3-methylmorpholine-4-carbonyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C)cc(C)c1C
InChIInChI=1S/C15H22N2O4S/c1-10-7-13(8-14(12(10)3)22(19,20)16-4)15(18)17-5-6-21-9-11(17)2/h7-8,11,16H,5-6,9H2,1-4H3/t11-/m1/s1
InChIKeyAAASJELPJSELAK-LLVKDONJSA-N
MW326.42 g/mol
LogP1.07
Rot. Bonds3

About N,2,3-trimethyl-5-[(3R)-3-methylmorpholine-4-carbonyl]benzenesulfonamide

N,2,3-trimethyl-5-[(3R)-3-methylmorpholine-4-carbonyl]benzenesulfonamide (PubChem CID 94022775) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N,2,3-trimethyl-5-[(3R)-3-methylmorpholine-4-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN,2,3-trimethyl-5-[(3R)-3-methylmorpholine-4-carbonyl]benzenesulfonamide
PubChem CID94022775
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN,2,3-trimethyl-5-[(3R)-3-methylmorpholine-4-carbonyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C)cc(C)c1C
InChIInChI=1S/C15H22N2O4S/c1-10-7-13(8-14(12(10)3)22(19,20)16-4)15(18)17-5-6-21-9-11(17)2/h7-8,11,16H,5-6,9H2,1-4H3/t11-/m1/s1
InChIKeyAAASJELPJSELAK-LLVKDONJSA-N
XLogP1.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-5-[(3R)-3-methylmorpholine-4-carbonyl]benzenesulfonamide?
The IUPAC name of N,2,3-trimethyl-5-[(3R)-3-methylmorpholine-4-carbonyl]benzenesulfonamide (CID 94022775) is N,2,3-trimethyl-5-[(3R)-3-methylmorpholine-4-carbonyl]benzenesulfonamide.
What is the SMILES notation for N,2,3-trimethyl-5-[(3R)-3-methylmorpholine-4-carbonyl]benzenesulfonamide?
The canonical SMILES for N,2,3-trimethyl-5-[(3R)-3-methylmorpholine-4-carbonyl]benzenesulfonamide is CNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C)cc(C)c1C.
What is the InChIKey of N,2,3-trimethyl-5-[(3R)-3-methylmorpholine-4-carbonyl]benzenesulfonamide?
The InChIKey is AAASJELPJSELAK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-10-7-13(8-14(12(10)3)22(19,20)16-4)15(18)17-5-6-21-9-11(17)2/h7-8,11,16H,5-6,9H2,1-4H3/t11-/m1/s1.
What are the key properties of N,2,3-trimethyl-5-[(3R)-3-methylmorpholine-4-carbonyl]benzenesulfonamide?
N,2,3-trimethyl-5-[(3R)-3-methylmorpholine-4-carbonyl]benzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-5-[(3R)-3-methylmorpholine-4-carbonyl]benzenesulfonamide is sourced from PubChem (CID 94022775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).