N-[(2-methylphenyl)methyl]-4-(3-oxomorpholin-4-yl)benzenesulfonamide

C18H20N2O4S — CID 110372427

IUPACN-[(2-methylphenyl)methyl]-4-(3-oxomorpholin-4-yl)benzenesulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C18H20N2O4S/c1-14-4-2-3-5-15(14)12-19-25(22,23)17-8-6-16(7-9-17)20-10-11-24-13-18(20)21/h2-9,19H,10-13H2,1H3
InChIKeyMLVXTPTVLSUHFN-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.84
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-4-(3-oxomorpholin-4-yl)benzenesulfonamide

N-[(2-methylphenyl)methyl]-4-(3-oxomorpholin-4-yl)benzenesulfonamide (PubChem CID 110372427) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-4-(3-oxomorpholin-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-4-(3-oxomorpholin-4-yl)benzenesulfonamide
PubChem CID110372427
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[(2-methylphenyl)methyl]-4-(3-oxomorpholin-4-yl)benzenesulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C18H20N2O4S/c1-14-4-2-3-5-15(14)12-19-25(22,23)17-8-6-16(7-9-17)20-10-11-24-13-18(20)21/h2-9,19H,10-13H2,1H3
InChIKeyMLVXTPTVLSUHFN-UHFFFAOYSA-N
XLogP1.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372468
N-(2-ethylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372480
4-(3-oxomorpholin-4-yl)-N-pentylbenzenesulfonamide
CID 110372460
4-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 47075386
N-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 95045248
3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide
CID 110363640
4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 31534702
N-[4-[[4-(3-oxomorpholin-4-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 110363646
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
N-(4-ethoxyphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372508
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-4-(3-oxomorpholin-4-yl)benzenesulfonamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-4-(3-oxomorpholin-4-yl)benzenesulfonamide (CID 110372427) is N-[(2-methylphenyl)methyl]-4-(3-oxomorpholin-4-yl)benzenesulfonamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-4-(3-oxomorpholin-4-yl)benzenesulfonamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-4-(3-oxomorpholin-4-yl)benzenesulfonamide is Cc1ccccc1CNS(=O)(=O)c1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-4-(3-oxomorpholin-4-yl)benzenesulfonamide?
The InChIKey is MLVXTPTVLSUHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-14-4-2-3-5-15(14)12-19-25(22,23)17-8-6-16(7-9-17)20-10-11-24-13-18(20)21/h2-9,19H,10-13H2,1H3.
What are the key properties of N-[(2-methylphenyl)methyl]-4-(3-oxomorpholin-4-yl)benzenesulfonamide?
N-[(2-methylphenyl)methyl]-4-(3-oxomorpholin-4-yl)benzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-4-(3-oxomorpholin-4-yl)benzenesulfonamide is sourced from PubChem (CID 110372427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).