2,3,5,6-tetramethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C16H26N2O3S — CID 2179620

IUPAC2,3,5,6-tetramethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCCN2CCOCC2)c1C
InChIInChI=1S/C16H26N2O3S/c1-12-11-13(2)15(4)16(14(12)3)22(19,20)17-5-6-18-7-9-21-10-8-18/h11,17H,5-10H2,1-4H3
InChIKeyNJTZRESWTZTRPX-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.53
Rot. Bonds5

About 2,3,5,6-tetramethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

2,3,5,6-tetramethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 2179620) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID2179620
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2,3,5,6-tetramethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCCN2CCOCC2)c1C
InChIInChI=1S/C16H26N2O3S/c1-12-11-13(2)15(4)16(14(12)3)22(19,20)17-5-6-18-7-9-21-10-8-18/h11,17H,5-10H2,1-4H3
InChIKeyNJTZRESWTZTRPX-UHFFFAOYSA-N
XLogP1.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-(2-morpholinoethyl)benzenesulfonamide
CID 646290
4-[(2,4,5-Trimethylphenyl)sulfonyl]morpholine
CID 802296
2,3,4-trimethyl-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide
CID 832222
1-Methyl-4-[(2,3,5,6-tetramethylphenyl)sulfonyl]piperazine
CID 897460
3,4-dimethyl-N-[3-(4-morpholinyl)propyl]benzenesulfonamide
CID 2273146
1-(2,3,5,6-Tetramethylbenzenesulfonyl)piperazine
CID 2431957
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide
CID 1587720
2,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2098658
2,3,5,6-tetramethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2178782
2,4-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride
CID 16242497
2,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride
CID 16242498
2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2104277

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 2179620) is 2,3,5,6-tetramethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCCN2CCOCC2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is NJTZRESWTZTRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-12-11-13(2)15(4)16(14(12)3)22(19,20)17-5-6-18-7-9-21-10-8-18/h11,17H,5-10H2,1-4H3.
What are the key properties of 2,3,5,6-tetramethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
2,3,5,6-tetramethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 2179620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).