4-fluoro-3-(3-propylmorpholine-4-carbonyl)benzenesulfonamide

C14H19FN2O4S — CID 56862071

IUPAC4-fluoro-3-(3-propylmorpholine-4-carbonyl)benzenesulfonamide
SMILESCCCC1COCCN1C(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C14H19FN2O4S/c1-2-3-10-9-21-7-6-17(10)14(18)12-8-11(22(16,19)20)4-5-13(12)15/h4-5,8,10H,2-3,6-7,9H2,1H3,(H2,16,19,20)
InChIKeyYUBUKCUHGXHRBH-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.11
Rot. Bonds4

About 4-fluoro-3-(3-propylmorpholine-4-carbonyl)benzenesulfonamide

4-fluoro-3-(3-propylmorpholine-4-carbonyl)benzenesulfonamide (PubChem CID 56862071) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-fluoro-3-(3-propylmorpholine-4-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-(3-propylmorpholine-4-carbonyl)benzenesulfonamide
PubChem CID56862071
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name4-fluoro-3-(3-propylmorpholine-4-carbonyl)benzenesulfonamide
SMILESCCCC1COCCN1C(=O)c1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C14H19FN2O4S/c1-2-3-10-9-21-7-6-17(10)14(18)12-8-11(22(16,19)20)4-5-13(12)15/h4-5,8,10H,2-3,6-7,9H2,1H3,(H2,16,19,20)
InChIKeyYUBUKCUHGXHRBH-UHFFFAOYSA-N
XLogP1.11
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(3-methylmorpholin-4-yl)methanone
CID 55612788
(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 69058576
2-fluoro-N-methyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 82744457
[3-(4-chlorophenyl)phenyl]-[(3R)-3-propylmorpholin-4-yl]methanone
CID 125164657
(2-amino-5-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43611588
4-fluoro-3-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane-4-carbonyl)benzenesulfonamide
CID 138806856
2-fluoro-N-[3-oxo-3-(3-propylmorpholin-4-yl)propyl]benzamide
CID 46983091
2-fluoro-N-(2-propylcyclopropyl)-5-sulfamoylbenzamide
CID 103713869
(3-ethylmorpholin-4-yl)-(4-fluoro-3-nitrophenyl)methanone
CID 43613168
[5-chloro-2-(propylamino)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 62170445
4-fluoro-3-[2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide
CID 70716405
(5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43611591

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(3-propylmorpholine-4-carbonyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-(3-propylmorpholine-4-carbonyl)benzenesulfonamide (CID 56862071) is 4-fluoro-3-(3-propylmorpholine-4-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-(3-propylmorpholine-4-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-(3-propylmorpholine-4-carbonyl)benzenesulfonamide is CCCC1COCCN1C(=O)c1cc(S(N)(=O)=O)ccc1F.
What is the InChIKey of 4-fluoro-3-(3-propylmorpholine-4-carbonyl)benzenesulfonamide?
The InChIKey is YUBUKCUHGXHRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-2-3-10-9-21-7-6-17(10)14(18)12-8-11(22(16,19)20)4-5-13(12)15/h4-5,8,10H,2-3,6-7,9H2,1H3,(H2,16,19,20).
What are the key properties of 4-fluoro-3-(3-propylmorpholine-4-carbonyl)benzenesulfonamide?
4-fluoro-3-(3-propylmorpholine-4-carbonyl)benzenesulfonamide has a molecular weight of 330.38 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(3-propylmorpholine-4-carbonyl)benzenesulfonamide is sourced from PubChem (CID 56862071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).