4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide

C17H19FN2O4S — CID 86976041

IUPAC4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1
InChIInChI=1S/C17H19FN2O4S/c1-12-11-14(18)5-8-16(12)25(22,23)20-15-6-3-13(4-7-15)17(21)19-9-10-24-2/h3-8,11,20H,9-10H2,1-2H3,(H,19,21)
InChIKeyXLMCQPHXAMMGSB-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.31
Rot. Bonds7

About 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide

4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide (PubChem CID 86976041) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
PubChem CID86976041
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1
InChIInChI=1S/C17H19FN2O4S/c1-12-11-14(18)5-8-16(12)25(22,23)20-15-6-3-13(4-7-15)17(21)19-9-10-24-2/h3-8,11,20H,9-10H2,1-2H3,(H,19,21)
InChIKeyXLMCQPHXAMMGSB-UHFFFAOYSA-N
XLogP2.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.31
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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Related Compounds

4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 24517108
N-(3-methoxypropyl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17477589
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17218182
[2-(2-methoxyethylamino)-2-oxoethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 2569341
4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide
CID 110170555
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
CID 4238415
3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24656490
4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)benzamide
CID 59174190
N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 17477773
4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 7040246
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 9336358

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide (CID 86976041) is 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1.
What is the InChIKey of 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
The InChIKey is XLMCQPHXAMMGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-12-11-14(18)5-8-16(12)25(22,23)20-15-6-3-13(4-7-15)17(21)19-9-10-24-2/h3-8,11,20H,9-10H2,1-2H3,(H,19,21).
What are the key properties of 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide has a molecular weight of 366.41 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 86976041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).