4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide

C14H20N2O4S — CID 27258350

IUPAC4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-11(2)15-21(18,19)13-5-3-12(4-6-13)14(17)16-7-9-20-10-8-16/h3-6,11,15H,7-10H2,1-2H3
InChIKeyUOWFATLMEJDWHI-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.85
Rot. Bonds4

About 4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide

4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 27258350) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID27258350
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-11(2)15-21(18,19)13-5-3-12(4-6-13)14(17)16-7-9-20-10-8-16/h3-6,11,15H,7-10H2,1-2H3
InChIKeyUOWFATLMEJDWHI-UHFFFAOYSA-N
XLogP0.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-dimethylmorpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 86981341
N-[1-(2-methylphenyl)ethyl]-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 86984239
N-(2-amino-1-cyclopropylethyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 119986557
1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 45341309
N-[2-(methylamino)propyl]-4-(morpholine-4-carbonyl)benzenesulfonamide;hydrochloride
CID 120825215
4-(1,4-diazepane-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119417843
N-(3-aminobutyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 119972328
4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216337
4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 66260464
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 49188791
4-(4-benzoylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 41309315
4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 165461287

Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide (CID 27258350) is 4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is UOWFATLMEJDWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-11(2)15-21(18,19)13-5-3-12(4-6-13)14(17)16-7-9-20-10-8-16/h3-6,11,15H,7-10H2,1-2H3.
What are the key properties of 4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide?
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 27258350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).