N-(4-methylphenyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide

C20H24N2O4S — CID 2224699

IUPACN-(4-methylphenyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-16-2-7-18(8-3-16)21-27(24,25)19-9-4-17(5-10-19)6-11-20(23)22-12-14-26-15-13-22/h2-5,7-10,21H,6,11-15H2,1H3
InChIKeyJUTCYBCEQSMXJC-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.59
Rot. Bonds6

About N-(4-methylphenyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide

N-(4-methylphenyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide (PubChem CID 2224699) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
PubChem CID2224699
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-(4-methylphenyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H24N2O4S/c1-16-2-7-18(8-3-16)21-27(24,25)19-9-4-17(5-10-19)6-11-20(23)22-12-14-26-15-13-22/h2-5,7-10,21H,6,11-15H2,1H3
InChIKeyJUTCYBCEQSMXJC-UHFFFAOYSA-N
XLogP2.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
4-methyl-N-[2-(4-morpholinylcarbonyl)phenyl]benzenesulfonamide
CID 1049836
2-(2-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3519434
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 3959591
Ethyl 4-[4-[(4-methylphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 5001502
4-acetyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 2118303
N-tert-Butyl-4-(3-morpholin-4-yl-3-oxo-propyl)-benzenesulfonamide
CID 651639
4-(Morpholine-4-sulfonyl)-N-phenyl-benzamide
CID 777437
N-(4-methylphenyl)-4-[3-oxo-3-(1-pyrrolidinyl)propyl]benzenesulfonamide
CID 1008120
4-methyl-N-(3-(morpholine-4-carbonyl)phenyl)benzenesulfonamide
CID 1097769

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The IUPAC name of N-(4-methylphenyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide (CID 2224699) is N-(4-methylphenyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The canonical SMILES for N-(4-methylphenyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The InChIKey is JUTCYBCEQSMXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-16-2-7-18(8-3-16)21-27(24,25)19-9-4-17(5-10-19)6-11-20(23)22-12-14-26-15-13-22/h2-5,7-10,21H,6,11-15H2,1H3.
What are the key properties of N-(4-methylphenyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
N-(4-methylphenyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide is sourced from PubChem (CID 2224699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).