N-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-fluorobenzamide

C20H24FN3O4S — CID 6492315

IUPACN-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-fluorobenzamide
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C20H24FN3O4S/c1-3-28-19-9-8-15(29(26,27)24-12-10-23(2)11-13-24)14-18(19)22-20(25)16-6-4-5-7-17(16)21/h4-9,14H,3,10-13H2,1-2H3,(H,22,25)
InChIKeyJGHDDMRYKWWQET-UHFFFAOYSA-N
MW421.49 g/mol
LogP2.41
Rot. Bonds6

About N-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-fluorobenzamide

N-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-fluorobenzamide (PubChem CID 6492315) has the molecular formula C20H24FN3O4S and a molecular weight of 421.49 g/mol. Its IUPAC name is N-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-fluorobenzamide
PubChem CID6492315
Molecular FormulaC20H24FN3O4S
Molecular Weight421.49 g/mol
Exact Mass421.15
IUPAC NameN-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-fluorobenzamide
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C20H24FN3O4S/c1-3-28-19-9-8-15(29(26,27)24-12-10-23(2)11-13-24)14-18(19)22-20(25)16-6-4-5-7-17(16)21/h4-9,14H,3,10-13H2,1-2H3,(H,22,25)
InChIKeyJGHDDMRYKWWQET-UHFFFAOYSA-N
XLogP2.41
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
N-(2-ethoxyphenyl)-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 3585656
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2,6-difluorobenzamide
CID 26892844
2,4-dichloro-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26265842
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(2-fluorophenyl)acetamide
CID 7719521
N-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 6492327
N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 2986711
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7695778
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide
CID 7719519
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide
CID 7761104
2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide
CID 18893328

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-fluorobenzamide?
The IUPAC name of N-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-fluorobenzamide (CID 6492315) is N-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-fluorobenzamide is CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccccc1F.
What is the InChIKey of N-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-fluorobenzamide?
The InChIKey is JGHDDMRYKWWQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4S/c1-3-28-19-9-8-15(29(26,27)24-12-10-23(2)11-13-24)14-18(19)22-20(25)16-6-4-5-7-17(16)21/h4-9,14H,3,10-13H2,1-2H3,(H,22,25).
What are the key properties of N-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-fluorobenzamide?
N-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-fluorobenzamide has a molecular weight of 421.49 g/mol, XLogP of 2.41, 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-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-fluorobenzamide is sourced from PubChem (CID 6492315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).