3-[(2-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide

C16H17FN2O4S — CID 118586158

IUPAC3-[(2-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(NS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C16H17FN2O4S/c1-23-10-9-18-16(20)12-5-4-6-13(11-12)19-24(21,22)15-8-3-2-7-14(15)17/h2-8,11,19H,9-10H2,1H3,(H,18,20)
InChIKeyGVJBLZBAKQZIET-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.00
Rot. Bonds7

About 3-[(2-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide

3-[(2-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide (PubChem CID 118586158) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
PubChem CID118586158
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name3-[(2-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(NS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C16H17FN2O4S/c1-23-10-9-18-16(20)12-5-4-6-13(11-12)19-24(21,22)15-8-3-2-7-14(15)17/h2-8,11,19H,9-10H2,1H3,(H,18,20)
InChIKeyGVJBLZBAKQZIET-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 3-[(2-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-[(2-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide (CID 118586158) is 3-[(2-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[(2-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cccc(NS(=O)(=O)c2ccccc2F)c1.
What is the InChIKey of 3-[(2-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
The InChIKey is GVJBLZBAKQZIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-23-10-9-18-16(20)12-5-4-6-13(11-12)19-24(21,22)15-8-3-2-7-14(15)17/h2-8,11,19H,9-10H2,1H3,(H,18,20).
What are the key properties of 3-[(2-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
3-[(2-fluorophenyl)sulfonylamino]-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 3-[(2-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 118586158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).