4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide

C19H24N2O5S2 — CID 31534702

IUPAC4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C19H24N2O5S2/c1-27(22,23)18-6-8-19(9-7-18)28(24,25)20-14-16-4-2-3-5-17(16)15-21-10-12-26-13-11-21/h2-9,20H,10-15H2,1H3
InChIKeyDUTDRWXBYXPXIT-UHFFFAOYSA-N
MW424.54 g/mol
LogP1.40
Rot. Bonds7

About 4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide

4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 31534702) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
PubChem CID31534702
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC Name4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)cc1
InChIInChI=1S/C19H24N2O5S2/c1-27(22,23)18-6-8-19(9-7-18)28(24,25)20-14-16-4-2-3-5-17(16)15-21-10-12-26-13-11-21/h2-9,20H,10-15H2,1H3
InChIKeyDUTDRWXBYXPXIT-UHFFFAOYSA-N
XLogP1.40
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 9190592
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 9190635
1-acetyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26531392
4-bromo-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 38258362
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 100530587
1-ethyl-2-[(4-methylsulfonylphenyl)methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111374487
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]ethanesulfonamide
CID 107650766
4-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 47075386
2,5-dichloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 9190612
N-(2-chloroethyl)-4-[2-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
CID 162435337
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 18197798
2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 27665440

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide (CID 31534702) is 4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide is CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)cc1.
What is the InChIKey of 4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is DUTDRWXBYXPXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-27(22,23)18-6-8-19(9-7-18)28(24,25)20-14-16-4-2-3-5-17(16)15-21-10-12-26-13-11-21/h2-9,20H,10-15H2,1H3.
What are the key properties of 4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide?
4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 424.54 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 31534702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).