N-[4-(3-oxomorpholin-4-yl)phenyl]butane-1-sulfonamide

C14H20N2O4S — CID 110363609

IUPACN-[4-(3-oxomorpholin-4-yl)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C14H20N2O4S/c1-2-3-10-21(18,19)15-12-4-6-13(7-5-12)16-8-9-20-11-14(16)17/h4-7,15H,2-3,8-11H2,1H3
InChIKeyOWIAXGZGUCADSN-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.59
Rot. Bonds6

About N-[4-(3-oxomorpholin-4-yl)phenyl]butane-1-sulfonamide

N-[4-(3-oxomorpholin-4-yl)phenyl]butane-1-sulfonamide (PubChem CID 110363609) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[4-(3-oxomorpholin-4-yl)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-oxomorpholin-4-yl)phenyl]butane-1-sulfonamide
PubChem CID110363609
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[4-(3-oxomorpholin-4-yl)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C14H20N2O4S/c1-2-3-10-21(18,19)15-12-4-6-13(7-5-12)16-8-9-20-11-14(16)17/h4-7,15H,2-3,8-11H2,1H3
InChIKeyOWIAXGZGUCADSN-UHFFFAOYSA-N
XLogP1.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]methanesulfonamide
CID 110363643
4-(3-oxomorpholin-4-yl)-N-pentylbenzenesulfonamide
CID 110372460
N-(4-ethoxyphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372508
5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]thiophene-2-sulfonamide
CID 110363635
N-[4-[[4-(3-oxomorpholin-4-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 110363646
4-[4-(propan-2-ylamino)phenyl]morpholin-3-one
CID 70327069
4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805
4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one
CID 163448135
3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide
CID 110363640
4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one
CID 59515485
N-(2-ethylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372480
2-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110420138

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxomorpholin-4-yl)phenyl]butane-1-sulfonamide?
The IUPAC name of N-[4-(3-oxomorpholin-4-yl)phenyl]butane-1-sulfonamide (CID 110363609) is N-[4-(3-oxomorpholin-4-yl)phenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[4-(3-oxomorpholin-4-yl)phenyl]butane-1-sulfonamide?
The canonical SMILES for N-[4-(3-oxomorpholin-4-yl)phenyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of N-[4-(3-oxomorpholin-4-yl)phenyl]butane-1-sulfonamide?
The InChIKey is OWIAXGZGUCADSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-2-3-10-21(18,19)15-12-4-6-13(7-5-12)16-8-9-20-11-14(16)17/h4-7,15H,2-3,8-11H2,1H3.
What are the key properties of N-[4-(3-oxomorpholin-4-yl)phenyl]butane-1-sulfonamide?
N-[4-(3-oxomorpholin-4-yl)phenyl]butane-1-sulfonamide has a molecular weight of 312.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxomorpholin-4-yl)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 110363609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).