N-benzyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

C19H21FN2O4S — CID 1167448

IUPACN-benzyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C19H21FN2O4S/c20-17-6-8-18(9-7-17)27(24,25)22(14-16-4-2-1-3-5-16)15-19(23)21-10-12-26-13-11-21/h1-9H,10-15H2
InChIKeyJGWJIKYEALDLGS-UHFFFAOYSA-N
MW392.45 g/mol
LogP1.88
Rot. Bonds6

About N-benzyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

N-benzyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 1167448) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is N-benzyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID1167448
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC NameN-benzyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C19H21FN2O4S/c20-17-6-8-18(9-7-17)27(24,25)22(14-16-4-2-1-3-5-16)15-19(23)21-10-12-26-13-11-21/h1-9H,10-15H2
InChIKeyJGWJIKYEALDLGS-UHFFFAOYSA-N
XLogP1.88
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 1167448) is N-benzyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of N-benzyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is JGWJIKYEALDLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c20-17-6-8-18(9-7-17)27(24,25)22(14-16-4-2-1-3-5-16)15-19(23)21-10-12-26-13-11-21/h1-9H,10-15H2.
What are the key properties of N-benzyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
N-benzyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide has a molecular weight of 392.45 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 1167448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).