4-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzenesulfonamide

C18H22N2O3S — CID 47075386

IUPAC4-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C18H22N2O3S/c1-15-6-8-17(9-7-15)24(21,22)19-14-16-4-2-3-5-18(16)20-10-12-23-13-11-20/h2-9,19H,10-14H2,1H3
InChIKeyDFNVOLLWQWFIIL-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.31
Rot. Bonds5

About 4-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzenesulfonamide

4-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzenesulfonamide (PubChem CID 47075386) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzenesulfonamide
PubChem CID47075386
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C18H22N2O3S/c1-15-6-8-17(9-7-15)24(21,22)19-14-16-4-2-3-5-18(16)20-10-12-23-13-11-20/h2-9,19H,10-14H2,1H3
InChIKeyDFNVOLLWQWFIIL-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[(4-methylphenyl)sulfonylamino]-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 38723759
4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 31534702
(3R,5S)-3,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide
CID 95164617
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
N-[(2-methylphenyl)methyl]-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372427
4-methyl-N-[7-[8-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)naphthalen-2-yl]naphthalen-1-yl]benzenesulfonamide
CID 132558307
3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 9431656
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 9190592
3,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1,2-oxazole-4-sulfonamide
CID 51089443
2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 75419013
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-methylbenzenesulfonamide
CID 113092748
N-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 58009712

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzenesulfonamide (CID 47075386) is 4-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccccc2N2CCOCC2)cc1.
What is the InChIKey of 4-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is DFNVOLLWQWFIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-15-6-8-17(9-7-15)24(21,22)19-14-16-4-2-3-5-18(16)20-10-12-23-13-11-20/h2-9,19H,10-14H2,1H3.
What are the key properties of 4-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzenesulfonamide?
4-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzenesulfonamide has a molecular weight of 346.45 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 47075386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).