N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide

C19H21FN2O5S — CID 7719519

IUPACN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C19H21FN2O5S/c1-2-27-18-7-6-16(28(24,25)22-8-10-26-11-9-22)13-17(18)21-19(23)14-4-3-5-15(20)12-14/h3-7,12-13H,2,8-11H2,1H3,(H,21,23)
InChIKeyHTLQKYQSAQYWNA-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.50
Rot. Bonds6

About N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide

N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide (PubChem CID 7719519) has the molecular formula C19H21FN2O5S and a molecular weight of 408.45 g/mol. Its IUPAC name is N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide
PubChem CID7719519
Molecular FormulaC19H21FN2O5S
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC NameN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C19H21FN2O5S/c1-2-27-18-7-6-16(28(24,25)22-8-10-26-11-9-22)13-17(18)21-19(23)14-4-3-5-15(20)12-14/h3-7,12-13H,2,8-11H2,1H3,(H,21,23)
InChIKeyHTLQKYQSAQYWNA-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-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2,6-difluorobenzamide
CID 26892844
3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 7936853
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 30669639
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-fluorophenyl)acetamide
CID 8502005
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbenzamide
CID 7761111
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(2-fluorophenyl)acetamide
CID 7719521
N-(2-ethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 650265
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylbutanamide
CID 46511351
5-chloro-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 39802239
2-(2,6-dichlorophenyl)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4881777
3-morpholin-4-ylsulfonyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 26175483
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 55686826

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide?
The IUPAC name of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide (CID 7719519) is N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide.
What is the SMILES notation for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide?
The canonical SMILES for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide is CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(F)c1.
What is the InChIKey of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide?
The InChIKey is HTLQKYQSAQYWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5S/c1-2-27-18-7-6-16(28(24,25)22-8-10-26-11-9-22)13-17(18)21-19(23)14-4-3-5-15(20)12-14/h3-7,12-13H,2,8-11H2,1H3,(H,21,23).
What are the key properties of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide?
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide 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-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide is sourced from PubChem (CID 7719519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).