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

C19H21FN2O5S — CID 2302190

IUPACN-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H21FN2O5S/c1-2-27-17-6-4-3-5-16(17)21-19(23)14-7-8-15(20)18(13-14)28(24,25)22-9-11-26-12-10-22/h3-8,13H,2,9-12H2,1H3,(H,21,23)
InChIKeySCJMIWMHNRNBKB-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.50
Rot. Bonds6

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

N-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2302190) has the molecular formula C19H21FN2O5S and a molecular weight of 408.45 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2302190
Molecular FormulaC19H21FN2O5S
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC NameN-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H21FN2O5S/c1-2-27-17-6-4-3-5-16(17)21-19(23)14-7-8-15(20)18(13-14)28(24,25)22-9-11-26-12-10-22/h3-8,13H,2,9-12H2,1H3,(H,21,23)
InChIKeySCJMIWMHNRNBKB-UHFFFAOYSA-N
XLogP2.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(diethylamino)ethoxy]phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55528339
1-[5-[(2-ethoxyphenyl)carbamoyl]-2-fluorophenyl]sulfonylpiperidine-4-carboxamide
CID 5058623
N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55613673
N-(2-ethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 650265
N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2161635
N-(2,5-diethoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26665163
N-(2-ethoxyphenyl)-4-fluoro-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylbenzamide
CID 5082465
N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2710293
N-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 27873551
N-[2,6-di(propan-2-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2669419
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide
CID 7719519
4-chloro-N-(2,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26681560

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide (CID 2302190) is N-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide is CCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is SCJMIWMHNRNBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5S/c1-2-27-17-6-4-3-5-16(17)21-19(23)14-7-8-15(20)18(13-14)28(24,25)22-9-11-26-12-10-22/h3-8,13H,2,9-12H2,1H3,(H,21,23).
What are the key properties of N-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
N-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 408.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2302190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).