N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide

C19H21FN2O6S2 — CID 55613673

IUPACN-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H21FN2O6S2/c1-2-29(24,25)17-6-4-3-5-16(17)21-19(23)14-7-8-15(20)18(13-14)30(26,27)22-9-11-28-12-10-22/h3-8,13H,2,9-12H2,1H3,(H,21,23)
InChIKeyNOFJRQUZTGZOCT-UHFFFAOYSA-N
MW456.52 g/mol
LogP1.89
Rot. Bonds6

About N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide

N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 55613673) has the molecular formula C19H21FN2O6S2 and a molecular weight of 456.52 g/mol. Its IUPAC name is N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
PubChem CID55613673
Molecular FormulaC19H21FN2O6S2
Molecular Weight456.52 g/mol
Exact Mass456.08
IUPAC NameN-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H21FN2O6S2/c1-2-29(24,25)17-6-4-3-5-16(17)21-19(23)14-7-8-15(20)18(13-14)30(26,27)22-9-11-28-12-10-22/h3-8,13H,2,9-12H2,1H3,(H,21,23)
InChIKeyNOFJRQUZTGZOCT-UHFFFAOYSA-N
XLogP1.89
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2302190
N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 55613517
N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2161635
N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2710293
N-[2-[2-(diethylamino)ethoxy]phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55528339
4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
CID 3900214
4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878
N-[2,6-di(propan-2-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2669419
2-fluoro-N-(2-morpholin-4-ylsulfonylphenyl)benzamide
CID 90451563
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide
CID 47718513
N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 23904636
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide (CID 55613673) is N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide is CCS(=O)(=O)c1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is NOFJRQUZTGZOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O6S2/c1-2-29(24,25)17-6-4-3-5-16(17)21-19(23)14-7-8-15(20)18(13-14)30(26,27)22-9-11-28-12-10-22/h3-8,13H,2,9-12H2,1H3,(H,21,23).
What are the key properties of N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 456.52 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55613673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).