N-(2-methylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide

C17H18N2O4S — CID 110372468

IUPACN-(2-methylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C17H18N2O4S/c1-13-4-2-3-5-16(13)18-24(21,22)15-8-6-14(7-9-15)19-10-11-23-12-17(19)20/h2-9,18H,10-12H2,1H3
InChIKeyUUFIAAZDFASYQB-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.16
Rot. Bonds4

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

N-(2-methylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide (PubChem CID 110372468) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
PubChem CID110372468
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-(2-methylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C17H18N2O4S/c1-13-4-2-3-5-16(13)18-24(21,22)15-8-6-14(7-9-15)19-10-11-23-12-17(19)20/h2-9,18H,10-12H2,1H3
InChIKeyUUFIAAZDFASYQB-UHFFFAOYSA-N
XLogP2.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372480
N-[(2-methylphenyl)methyl]-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372427
3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide
CID 110363640
N-[4-[[4-(3-oxomorpholin-4-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 110363646
N-(4-ethoxyphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372508
4-(3-oxomorpholin-4-yl)-N-pentylbenzenesulfonamide
CID 110372460
N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362516
1-(4-methylphenyl)sulfonyl-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 110363597
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277
2-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110420138
N-(2,3-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 7938577
N-benzyl-N-ethyl-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372439

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide?
The IUPAC name of N-(2-methylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide (CID 110372468) is N-(2-methylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-methylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide?
The canonical SMILES for N-(2-methylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of N-(2-methylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide?
The InChIKey is UUFIAAZDFASYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-13-4-2-3-5-16(13)18-24(21,22)15-8-6-14(7-9-15)19-10-11-23-12-17(19)20/h2-9,18H,10-12H2,1H3.
What are the key properties of N-(2-methylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide?
N-(2-methylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide is sourced from PubChem (CID 110372468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).