5-(benzenesulfonamido)-2-fluoro-N-(2-methoxyethyl)benzamide

C16H17FN2O4S — CID 118572877

IUPAC5-(benzenesulfonamido)-2-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1F
InChIInChI=1S/C16H17FN2O4S/c1-23-10-9-18-16(20)14-11-12(7-8-15(14)17)19-24(21,22)13-5-3-2-4-6-13/h2-8,11,19H,9-10H2,1H3,(H,18,20)
InChIKeyIVSHYTJXWQYIPD-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.00
Rot. Bonds7

About 5-(benzenesulfonamido)-2-fluoro-N-(2-methoxyethyl)benzamide

5-(benzenesulfonamido)-2-fluoro-N-(2-methoxyethyl)benzamide (PubChem CID 118572877) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-2-fluoro-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-2-fluoro-N-(2-methoxyethyl)benzamide
PubChem CID118572877
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name5-(benzenesulfonamido)-2-fluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1F
InChIInChI=1S/C16H17FN2O4S/c1-23-10-9-18-16(20)14-11-12(7-8-15(14)17)19-24(21,22)13-5-3-2-4-6-13/h2-8,11,19H,9-10H2,1H3,(H,18,20)
InChIKeyIVSHYTJXWQYIPD-UHFFFAOYSA-N
XLogP2.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-2-fluoro-N-(2-methoxyethyl)benzamide?
The IUPAC name of 5-(benzenesulfonamido)-2-fluoro-N-(2-methoxyethyl)benzamide (CID 118572877) is 5-(benzenesulfonamido)-2-fluoro-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 5-(benzenesulfonamido)-2-fluoro-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 5-(benzenesulfonamido)-2-fluoro-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1F.
What is the InChIKey of 5-(benzenesulfonamido)-2-fluoro-N-(2-methoxyethyl)benzamide?
The InChIKey is IVSHYTJXWQYIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-23-10-9-18-16(20)14-11-12(7-8-15(14)17)19-24(21,22)13-5-3-2-4-6-13/h2-8,11,19H,9-10H2,1H3,(H,18,20).
What are the key properties of 5-(benzenesulfonamido)-2-fluoro-N-(2-methoxyethyl)benzamide?
5-(benzenesulfonamido)-2-fluoro-N-(2-methoxyethyl)benzamide has a molecular weight of 352.39 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-2-fluoro-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 118572877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).