N-[(4-fluorophenyl)methyl]-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

C20H23FN2O4S — CID 1073052

IUPACN-[(4-fluorophenyl)methyl]-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O4S/c1-16-2-8-19(9-3-16)28(25,26)23(14-17-4-6-18(21)7-5-17)15-20(24)22-10-12-27-13-11-22/h2-9H,10-15H2,1H3
InChIKeyHQZGXGGTYCUDMU-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.18
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

N-[(4-fluorophenyl)methyl]-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 1073052) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID1073052
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O4S/c1-16-2-8-19(9-3-16)28(25,26)23(14-17-4-6-18(21)7-5-17)15-20(24)22-10-12-27-13-11-22/h2-9H,10-15H2,1H3
InChIKeyHQZGXGGTYCUDMU-UHFFFAOYSA-N
XLogP2.18
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 1073052) is N-[(4-fluorophenyl)methyl]-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is HQZGXGGTYCUDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-16-2-8-19(9-3-16)28(25,26)23(14-17-4-6-18(21)7-5-17)15-20(24)22-10-12-27-13-11-22/h2-9H,10-15H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
N-[(4-fluorophenyl)methyl]-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide has a molecular weight of 406.48 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 1073052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).