4-methoxy-2,3-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C15H24N2O4S — CID 976619

IUPAC4-methoxy-2,3-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCN2CCOCC2)c(C)c1C
InChIInChI=1S/C15H24N2O4S/c1-12-13(2)15(5-4-14(12)20-3)22(18,19)16-6-7-17-8-10-21-11-9-17/h4-5,16H,6-11H2,1-3H3
InChIKeyOTCRWFSKWBSBLF-UHFFFAOYSA-N
MW328.43 g/mol
LogP0.92
Rot. Bonds6

About 4-methoxy-2,3-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

4-methoxy-2,3-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 976619) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID976619
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name4-methoxy-2,3-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCN2CCOCC2)c(C)c1C
InChIInChI=1S/C15H24N2O4S/c1-12-13(2)15(5-4-14(12)20-3)22(18,19)16-6-7-17-8-10-21-11-9-17/h4-5,16H,6-11H2,1-3H3
InChIKeyOTCRWFSKWBSBLF-UHFFFAOYSA-N
XLogP0.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-2,3,5-trimethyl-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide
CID 4914479
1-(4-Ethoxy-2,3-dimethylphenyl)sulfonylpiperidine
CID 976573
4-Methyl-1-[(4-propoxynaphthyl)sulfonyl]piperazine
CID 9267437
1-[(4-Methoxy-3-methylphenyl)sulfonyl]-4-methylpiperazine
CID 847009
4-[(4-Methoxy-1-naphthyl)sulfonyl]morpholine
CID 723649
[(4-Methoxynaphthyl)sulfonyl](3-morpholin-4-ylpropyl)amine
CID 652874
1-Ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 701306
1-[(4-Methoxy-2,5-dimethylphenyl)sulfonyl]-4-methylpiperazine
CID 801474
1-(4-Methoxynaphthalen-1-yl)sulfonyl-4-methylpiperazine
CID 846975
N-cyclohexyl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 2234313
N-[2-(4-morpholinyl)ethyl]-4-propoxy-1-naphthalenesulfonamide
CID 2239380
4-methoxy-N-(2-morpholinoethyl)naphthalene-1-sulfonamide
CID 2295169

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,3-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 976619) is 4-methoxy-2,3-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCN2CCOCC2)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is OTCRWFSKWBSBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-12-13(2)15(5-4-14(12)20-3)22(18,19)16-6-7-17-8-10-21-11-9-17/h4-5,16H,6-11H2,1-3H3.
What are the key properties of 4-methoxy-2,3-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
4-methoxy-2,3-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 328.43 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 976619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).