2-fluoro-N-(4-fluoro-3-methylphenyl)-3-(oxolan-3-ylsulfamoyl)benzamide

C18H18F2N2O4S — CID 123506299

IUPAC2-fluoro-N-(4-fluoro-3-methylphenyl)-3-(oxolan-3-ylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)NC3CCOC3)c2F)ccc1F
InChIInChI=1S/C18H18F2N2O4S/c1-11-9-12(5-6-15(11)19)21-18(23)14-3-2-4-16(17(14)20)27(24,25)22-13-7-8-26-10-13/h2-6,9,13,22H,7-8,10H2,1H3,(H,21,23)
InChIKeyHBVLWVVXOGDZNY-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.59
Rot. Bonds5

About 2-fluoro-N-(4-fluoro-3-methylphenyl)-3-(oxolan-3-ylsulfamoyl)benzamide

2-fluoro-N-(4-fluoro-3-methylphenyl)-3-(oxolan-3-ylsulfamoyl)benzamide (PubChem CID 123506299) has the molecular formula C18H18F2N2O4S and a molecular weight of 396.42 g/mol. Its IUPAC name is 2-fluoro-N-(4-fluoro-3-methylphenyl)-3-(oxolan-3-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-fluoro-3-methylphenyl)-3-(oxolan-3-ylsulfamoyl)benzamide
PubChem CID123506299
Molecular FormulaC18H18F2N2O4S
Molecular Weight396.42 g/mol
Exact Mass396.10
IUPAC Name2-fluoro-N-(4-fluoro-3-methylphenyl)-3-(oxolan-3-ylsulfamoyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(S(=O)(=O)NC3CCOC3)c2F)ccc1F
InChIInChI=1S/C18H18F2N2O4S/c1-11-9-12(5-6-15(11)19)21-18(23)14-3-2-4-16(17(14)20)27(24,25)22-13-7-8-26-10-13/h2-6,9,13,22H,7-8,10H2,1H3,(H,21,23)
InChIKeyHBVLWVVXOGDZNY-UHFFFAOYSA-N
XLogP2.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(4-fluoro-3-methylphenyl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 90075345
3-[2-[3-(difluoromethyl)-4-fluorophenyl]acetyl]-2-fluoro-N-[(3S)-oxolan-3-yl]benzenesulfonamide
CID 161304110
3-amino-2,4-difluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 107343713
N-(4-fluoro-3-methylphenyl)-1-[[(3S)-oxolan-3-yl]sulfamoyl]pyrrolidine-3-carboxamide
CID 140703463
N-(2,4-difluoro-5-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 118396952
4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 99819137
N-(4-fluoro-3-methylphenyl)-3-[[(1R,3S)-3-hydroxycyclopentyl]sulfamoyl]benzamide
CID 118380733
N-(3-chlorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146256158
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-fluoro-4-methylphenyl)benzamide
CID 30866994
N-(3,5-difluorophenyl)-2-methoxy-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 146237287
methyl 2-methyl-3-[[(3S)-oxan-3-yl]sulfamoyl]benzoate
CID 95173847
N-(4-fluoro-3-methylphenyl)-2-methoxy-5-[methyl-[(3S)-oxolan-3-yl]sulfonylamino]benzamide
CID 146256043

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-fluoro-3-methylphenyl)-3-(oxolan-3-ylsulfamoyl)benzamide?
The IUPAC name of 2-fluoro-N-(4-fluoro-3-methylphenyl)-3-(oxolan-3-ylsulfamoyl)benzamide (CID 123506299) is 2-fluoro-N-(4-fluoro-3-methylphenyl)-3-(oxolan-3-ylsulfamoyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(4-fluoro-3-methylphenyl)-3-(oxolan-3-ylsulfamoyl)benzamide?
The canonical SMILES for 2-fluoro-N-(4-fluoro-3-methylphenyl)-3-(oxolan-3-ylsulfamoyl)benzamide is Cc1cc(NC(=O)c2cccc(S(=O)(=O)NC3CCOC3)c2F)ccc1F.
What is the InChIKey of 2-fluoro-N-(4-fluoro-3-methylphenyl)-3-(oxolan-3-ylsulfamoyl)benzamide?
The InChIKey is HBVLWVVXOGDZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O4S/c1-11-9-12(5-6-15(11)19)21-18(23)14-3-2-4-16(17(14)20)27(24,25)22-13-7-8-26-10-13/h2-6,9,13,22H,7-8,10H2,1H3,(H,21,23).
What are the key properties of 2-fluoro-N-(4-fluoro-3-methylphenyl)-3-(oxolan-3-ylsulfamoyl)benzamide?
2-fluoro-N-(4-fluoro-3-methylphenyl)-3-(oxolan-3-ylsulfamoyl)benzamide has a molecular weight of 396.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-fluoro-3-methylphenyl)-3-(oxolan-3-ylsulfamoyl)benzamide is sourced from PubChem (CID 123506299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).