2,3,4-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C15H24N2O3S — CID 832222

IUPAC2,3,4-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN2CCOCC2)c(C)c1C
InChIInChI=1S/C15H24N2O3S/c1-12-4-5-15(14(3)13(12)2)21(18,19)16-6-7-17-8-10-20-11-9-17/h4-5,16H,6-11H2,1-3H3
InChIKeyYPDRYGPTCQQSRR-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.22
Rot. Bonds5

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

2,3,4-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 832222) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2,3,4-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID832222
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2,3,4-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN2CCOCC2)c(C)c1C
InChIInChI=1S/C15H24N2O3S/c1-12-4-5-15(14(3)13(12)2)21(18,19)16-6-7-17-8-10-20-11-9-17/h4-5,16H,6-11H2,1-3H3
InChIKeyYPDRYGPTCQQSRR-UHFFFAOYSA-N
XLogP1.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Morpholino-2-(p-toluenesulfonyl)aminoethane
CID 567713
N-(2-methoxyethyl)-2,3,4-trimethylbenzenesulfonamide
CID 1587717
N-(3-morpholin-4-ylpropyl)naphthalene-2-sulfonamide
CID 2266583
4-(2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylsulfonyl)morpholine
CID 44573223
3,4-dimethyl-N-(2-morpholinoethyl)benzenesulfonamide
CID 646290
Ethyl 4-[(2,3,4-trimethylphenyl)sulfonyl]-1-piperazinecarboxylate
CID 757184
4-[(2,4,5-Trimethylphenyl)sulfonyl]morpholine
CID 802296
4-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 991615
4-({4-[(3,4-Dimethylphenyl)sulfonyl]-1-piperazinyl}sulfonyl)morpholine
CID 2235354
3,4-dimethyl-N-[3-(4-morpholinyl)propyl]benzenesulfonamide
CID 2273146
N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 2480420
(2-Morpholin-4-ylethyl)(2-naphthylsulfonyl)amine
CID 670907

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 2,3,4-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 832222) is 2,3,4-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,3,4-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,3,4-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCN2CCOCC2)c(C)c1C.
What is the InChIKey of 2,3,4-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is YPDRYGPTCQQSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12-4-5-15(14(3)13(12)2)21(18,19)16-6-7-17-8-10-20-11-9-17/h4-5,16H,6-11H2,1-3H3.
What are the key properties of 2,3,4-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
2,3,4-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 832222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).