4-(3-oxomorpholin-4-yl)-N-pentylbenzenesulfonamide

C15H22N2O4S — CID 110372460

IUPAC4-(3-oxomorpholin-4-yl)-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C15H22N2O4S/c1-2-3-4-9-16-22(19,20)14-7-5-13(6-8-14)17-10-11-21-12-15(17)18/h5-8,16H,2-4,9-12H2,1H3
InChIKeyLLGQESLDIKVVKB-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.52
Rot. Bonds7

About 4-(3-oxomorpholin-4-yl)-N-pentylbenzenesulfonamide

4-(3-oxomorpholin-4-yl)-N-pentylbenzenesulfonamide (PubChem CID 110372460) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-(3-oxomorpholin-4-yl)-N-pentylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-oxomorpholin-4-yl)-N-pentylbenzenesulfonamide
PubChem CID110372460
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name4-(3-oxomorpholin-4-yl)-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C15H22N2O4S/c1-2-3-4-9-16-22(19,20)14-7-5-13(6-8-14)17-10-11-21-12-15(17)18/h5-8,16H,2-4,9-12H2,1H3
InChIKeyLLGQESLDIKVVKB-UHFFFAOYSA-N
XLogP1.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylphenyl)methyl]-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372427
N-[4-(3-oxomorpholin-4-yl)phenyl]butane-1-sulfonamide
CID 110363609
N-(2-ethylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372480
N-(4-ethoxyphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372508
N-(2-methylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372468
N-[4-[[4-(3-oxomorpholin-4-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 110363646
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16890979
3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide
CID 110363640
1-(4-methylphenyl)sulfonyl-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 110363597
N-benzyl-N-ethyl-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372439
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxomorpholin-4-yl)-N-pentylbenzenesulfonamide?
The IUPAC name of 4-(3-oxomorpholin-4-yl)-N-pentylbenzenesulfonamide (CID 110372460) is 4-(3-oxomorpholin-4-yl)-N-pentylbenzenesulfonamide.
What is the SMILES notation for 4-(3-oxomorpholin-4-yl)-N-pentylbenzenesulfonamide?
The canonical SMILES for 4-(3-oxomorpholin-4-yl)-N-pentylbenzenesulfonamide is CCCCCNS(=O)(=O)c1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 4-(3-oxomorpholin-4-yl)-N-pentylbenzenesulfonamide?
The InChIKey is LLGQESLDIKVVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-2-3-4-9-16-22(19,20)14-7-5-13(6-8-14)17-10-11-21-12-15(17)18/h5-8,16H,2-4,9-12H2,1H3.
What are the key properties of 4-(3-oxomorpholin-4-yl)-N-pentylbenzenesulfonamide?
4-(3-oxomorpholin-4-yl)-N-pentylbenzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxomorpholin-4-yl)-N-pentylbenzenesulfonamide is sourced from PubChem (CID 110372460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).