N-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C20H21FN2O6S — CID 1071283

IUPACN-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1
InChIInChI=1S/C20H21FN2O6S/c21-15-1-3-16(4-2-15)23(14-20(24)22-7-9-27-10-8-22)30(25,26)17-5-6-18-19(13-17)29-12-11-28-18/h1-6,13H,7-12,14H2
InChIKeyWLRUIJXYBZPPOV-UHFFFAOYSA-N
MW436.46 g/mol
LogP1.65
Rot. Bonds5

About N-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 1071283) has the molecular formula C20H21FN2O6S and a molecular weight of 436.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID1071283
Molecular FormulaC20H21FN2O6S
Molecular Weight436.46 g/mol
Exact Mass436.11
IUPAC NameN-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1
InChIInChI=1S/C20H21FN2O6S/c21-15-1-3-16(4-2-15)23(14-20(24)22-7-9-27-10-8-22)30(25,26)17-5-6-18-19(13-17)29-12-11-28-18/h1-6,13H,7-12,14H2
InChIKeyWLRUIJXYBZPPOV-UHFFFAOYSA-N
XLogP1.65
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide with MolForge

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Related Compounds

3,4-dimethoxy-N-((1r,4r)-4-(4-(2-(2,2,2-trifluoroethoxy)phenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 11505007
1-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpiperazine
CID 1148713
N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 722337
1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-(2-methoxyphenyl)piperazine
CID 1201987
2-{[(3,4-dimethoxyphenyl)sulfonyl]-4-fluoroanilino}-N-(tetrahydro-2-furanylmethyl)acetamide
CID 2948005
4-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl]-3,4-dihydroquinoxalin-2(1H)-one
CID 5301682
N-ethyl-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-3,4-dimethoxybenzenesulfonamide
CID 44433348
N-(2-Fluoro-phenyl)-2-[4-(morpholine-4-sulfonyl)-phenoxy]-acetamide
CID 6457540
N-(5-Chloro-2-methoxy-phenyl)-3,4-dimethoxy-N-(2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 654668
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(oxolan-2-ylmethyl)acetamide
CID 662297
N-[2-(azepan-1-yl)-2-oxoethyl]-3,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 985158
methyl 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]acetate
CID 1071278

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 1071283) is N-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1.
What is the InChIKey of N-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is WLRUIJXYBZPPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O6S/c21-15-1-3-16(4-2-15)23(14-20(24)22-7-9-27-10-8-22)30(25,26)17-5-6-18-19(13-17)29-12-11-28-18/h1-6,13H,7-12,14H2.
What are the key properties of N-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 436.46 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 1071283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).