2-fluoro-N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide

C19H21FN2O5S — CID 6492368

IUPAC2-fluoro-N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C19H21FN2O5S/c1-26-18-9-8-14(28(24,25)21-12-13-5-4-10-27-13)11-17(18)22-19(23)15-6-2-3-7-16(15)20/h2-3,6-9,11,13,21H,4-5,10,12H2,1H3,(H,22,23)
InChIKeyPOWHYDKPQFLLHL-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.54
Rot. Bonds7

About 2-fluoro-N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide

2-fluoro-N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide (PubChem CID 6492368) has the molecular formula C19H21FN2O5S and a molecular weight of 408.45 g/mol. Its IUPAC name is 2-fluoro-N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
PubChem CID6492368
Molecular FormulaC19H21FN2O5S
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC Name2-fluoro-N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCCO2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C19H21FN2O5S/c1-26-18-9-8-14(28(24,25)21-12-13-5-4-10-27-13)11-17(18)22-19(23)15-6-2-3-7-16(15)20/h2-3,6-9,11,13,21H,4-5,10,12H2,1H3,(H,22,23)
InChIKeyPOWHYDKPQFLLHL-UHFFFAOYSA-N
XLogP2.54
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24639827
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 15945391
N-(2-methoxy-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenyl)benzamide
CID 2987883
3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-N-(2-methoxyphenyl)propanamide
CID 1317129
4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2519306
Anti-Influenza agent 4
CID 4156245
T5247935
CID 5216904
4-chloro-N-[3-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 16277775
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 42601204
4-fluoro-3-(furan-2-ylmethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 3435304
(2-Benzamidophenyl) 4-methoxybenzenesulfonate
CID 9886310

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide (CID 6492368) is 2-fluoro-N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide is COc1ccc(S(=O)(=O)NCC2CCCO2)cc1NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
The InChIKey is POWHYDKPQFLLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5S/c1-26-18-9-8-14(28(24,25)21-12-13-5-4-10-27-13)11-17(18)22-19(23)15-6-2-3-7-16(15)20/h2-3,6-9,11,13,21H,4-5,10,12H2,1H3,(H,22,23).
What are the key properties of 2-fluoro-N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide?
2-fluoro-N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide has a molecular weight of 408.45 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-methoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 6492368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).