1-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)methanesulfonamide

C18H22N2O3S — CID 110362407

IUPAC1-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)Nc1cccc(N2CCOCC2)c1
InChIInChI=1S/C18H22N2O3S/c1-15-5-2-3-6-16(15)14-24(21,22)19-17-7-4-8-18(13-17)20-9-11-23-12-10-20/h2-8,13,19H,9-12,14H2,1H3
InChIKeyCJFBPWGBYQWPBL-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.77
Rot. Bonds5

About 1-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)methanesulfonamide

1-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)methanesulfonamide (PubChem CID 110362407) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)methanesulfonamide
PubChem CID110362407
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)Nc1cccc(N2CCOCC2)c1
InChIInChI=1S/C18H22N2O3S/c1-15-5-2-3-6-16(15)14-24(21,22)19-17-7-4-8-18(13-17)20-9-11-23-12-10-20/h2-8,13,19H,9-12,14H2,1H3
InChIKeyCJFBPWGBYQWPBL-UHFFFAOYSA-N
XLogP2.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-N-(3-morpholin-4-ylphenyl)butane-1-sulfonamide
CID 97331975
1-(2-methylphenyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]methanesulfonamide
CID 112502667
4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362395
4-methyl-3-[(3-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
CID 51121483
N-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 110726270
5-ethyl-N-(3-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 110362404
N-ethyl-3-morpholin-4-ylaniline
CID 22605665
3-chloro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 55891569
N-(2-methoxy-5-piperidin-1-ylphenyl)-1-(2-methylphenyl)methanesulfonamide
CID 110359721
1-(2-methylphenyl)-N-(4-pyrrol-1-ylphenyl)methanesulfonamide
CID 110726362
N-[5-[(3-morpholin-4-ylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110362427
N-[3-(4-acetylpiperazin-1-yl)phenyl]propane-1-sulfonamide
CID 110368214

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)methanesulfonamide?
The IUPAC name of 1-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)methanesulfonamide (CID 110362407) is 1-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)methanesulfonamide?
The canonical SMILES for 1-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)Nc1cccc(N2CCOCC2)c1.
What is the InChIKey of 1-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)methanesulfonamide?
The InChIKey is CJFBPWGBYQWPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-15-5-2-3-6-16(15)14-24(21,22)19-17-7-4-8-18(13-17)20-9-11-23-12-10-20/h2-8,13,19H,9-12,14H2,1H3.
What are the key properties of 1-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)methanesulfonamide?
1-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)methanesulfonamide has a molecular weight of 346.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-(3-morpholin-4-ylphenyl)methanesulfonamide is sourced from PubChem (CID 110362407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).