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

C12H15FN2O4S — CID 893873

IUPAC4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C12H15FN2O4S/c13-10-1-3-11(4-2-10)20(17,18)14-9-12(16)15-5-7-19-8-6-15/h1-4,14H,5-9H2
InChIKeyLRMQYFVAYPAKIP-UHFFFAOYSA-N
MW302.33 g/mol
LogP-0.04
Rot. Bonds4

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

4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 893873) has the molecular formula C12H15FN2O4S and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID893873
Molecular FormulaC12H15FN2O4S
Molecular Weight302.33 g/mol
Exact Mass302.07
IUPAC Name4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C12H15FN2O4S/c13-10-1-3-11(4-2-10)20(17,18)14-9-12(16)15-5-7-19-8-6-15/h1-4,14H,5-9H2
InChIKeyLRMQYFVAYPAKIP-UHFFFAOYSA-N
XLogP-0.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 893873) is 4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is O=C(CNS(=O)(=O)c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is LRMQYFVAYPAKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4S/c13-10-1-3-11(4-2-10)20(17,18)14-9-12(16)15-5-7-19-8-6-15/h1-4,14H,5-9H2.
What are the key properties of 4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide has a molecular weight of 302.33 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 893873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).