5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide

C21H18F2N2O4S — CID 34092220

IUPAC5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(F)ccc2C)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H18F2N2O4S/c1-13-3-4-15(23)11-18(13)21(26)24-16-7-10-20(29-2)19(12-16)25-30(27,28)17-8-5-14(22)6-9-17/h3-12,25H,1-2H3,(H,24,26)
InChIKeyUGYKCKOQCFOMON-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.33
Rot. Bonds6

About 5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide

5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide (PubChem CID 34092220) has the molecular formula C21H18F2N2O4S and a molecular weight of 432.45 g/mol. Its IUPAC name is 5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide
PubChem CID34092220
Molecular FormulaC21H18F2N2O4S
Molecular Weight432.45 g/mol
Exact Mass432.10
IUPAC Name5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(F)ccc2C)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H18F2N2O4S/c1-13-3-4-15(23)11-18(13)21(26)24-16-7-10-20(29-2)19(12-16)25-30(27,28)17-8-5-14(22)6-9-17/h3-12,25H,1-2H3,(H,24,26)
InChIKeyUGYKCKOQCFOMON-UHFFFAOYSA-N
XLogP4.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 31801001
2-(4-fluorophenyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 34091807
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]pyridine-2-carboxamide
CID 7908354
4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide
CID 37041042
4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide
CID 31307715
(2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide
CID 30291890
4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide
CID 8903058
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 82156500
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-(4-methylphenyl)propanamide
CID 16580146
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylbenzamide
CID 134019085
2,2-dichloro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methylcyclopropane-1-carboxamide
CID 43004633
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 2496757

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide?
The IUPAC name of 5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide (CID 34092220) is 5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide.
What is the SMILES notation for 5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide?
The canonical SMILES for 5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide is COc1ccc(NC(=O)c2cc(F)ccc2C)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide?
The InChIKey is UGYKCKOQCFOMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O4S/c1-13-3-4-15(23)11-18(13)21(26)24-16-7-10-20(29-2)19(12-16)25-30(27,28)17-8-5-14(22)6-9-17/h3-12,25H,1-2H3,(H,24,26).
What are the key properties of 5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide?
5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide has a molecular weight of 432.45 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide is sourced from PubChem (CID 34092220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).