4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide

C18H20N2O4S2 — CID 49188791

IUPAC4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C18H20N2O4S2/c1-25-16-6-8-17(9-7-16)26(22,23)19-15-4-2-14(3-5-15)18(21)20-10-12-24-13-11-20/h2-9,19H,10-13H2,1H3
InChIKeyFGOGLKKKSTUMOI-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.68
Rot. Bonds5

About 4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide

4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (PubChem CID 49188791) has the molecular formula C18H20N2O4S2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
PubChem CID49188791
Molecular FormulaC18H20N2O4S2
Molecular Weight392.50 g/mol
Exact Mass392.09
IUPAC Name4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C18H20N2O4S2/c1-25-16-6-8-17(9-7-16)26(22,23)19-15-4-2-14(3-5-15)18(21)20-10-12-24-13-11-20/h2-9,19H,10-13H2,1H3
InChIKeyFGOGLKKKSTUMOI-UHFFFAOYSA-N
XLogP2.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 26583543
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 78892234
N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 39825155
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
4-(pyrrolidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 109059218
4-[[4-(4-methylpiperazine-1-carbonyl)phenyl]sulfamoyl]benzoic acid
CID 108782929
N-[4-(morpholine-4-carbonyl)phenyl]propane-1-sulfonamide
CID 87027248
N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059185
4-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 17492250
2,5-difluoro-4-[[4-(morpholine-4-carbonyl)phenyl]sulfonylamino]benzoic acid
CID 130296898
4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 43454843

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (CID 49188791) is 4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is FGOGLKKKSTUMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S2/c1-25-16-6-8-17(9-7-16)26(22,23)19-15-4-2-14(3-5-15)18(21)20-10-12-24-13-11-20/h2-9,19H,10-13H2,1H3.
What are the key properties of 4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 392.50 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 49188791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).