N-(4-fluorophenyl)sulfonyl-3-(methylsulfonylmethyl)benzamide

C15H14FNO5S2 — CID 110166612

IUPACN-(4-fluorophenyl)sulfonyl-3-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1cccc(C(=O)NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H14FNO5S2/c1-23(19,20)10-11-3-2-4-12(9-11)15(18)17-24(21,22)14-7-5-13(16)6-8-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyIQLWYABFKWXGMH-UHFFFAOYSA-N
MW371.41 g/mol
LogP1.49
Rot. Bonds5

About N-(4-fluorophenyl)sulfonyl-3-(methylsulfonylmethyl)benzamide

N-(4-fluorophenyl)sulfonyl-3-(methylsulfonylmethyl)benzamide (PubChem CID 110166612) has the molecular formula C15H14FNO5S2 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)sulfonyl-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)sulfonyl-3-(methylsulfonylmethyl)benzamide
PubChem CID110166612
Molecular FormulaC15H14FNO5S2
Molecular Weight371.41 g/mol
Exact Mass371.03
IUPAC NameN-(4-fluorophenyl)sulfonyl-3-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1cccc(C(=O)NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C15H14FNO5S2/c1-23(19,20)10-11-3-2-4-12(9-11)15(18)17-24(21,22)14-7-5-13(16)6-8-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyIQLWYABFKWXGMH-UHFFFAOYSA-N
XLogP1.49
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)sulfonyl-3-(methylsulfonylmethyl)benzamide
CID 110166741
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluorophenyl)sulfonylbenzamide
CID 110166622
N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(methylsulfonylmethyl)benzamide
CID 34081623
3-(methylsulfonylmethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 9188162
N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 7668726
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(methylsulfonylmethyl)benzamide
CID 9426942
N-(4-bromo-2-fluorophenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667525
3-N,5-N-bis[(4-fluorophenyl)sulfonyl]pyridine-3,5-dicarboxamide
CID 57399860
3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572209
N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 51959885
N'-[2-(2-fluorophenoxy)propanoyl]-3-(methylsulfonylmethyl)benzohydrazide
CID 55388470
(2S)-2-[[3-(methylsulfonylmethyl)benzoyl]amino]-2-phenylbutanoic acid
CID 97233913

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)sulfonyl-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-(4-fluorophenyl)sulfonyl-3-(methylsulfonylmethyl)benzamide (CID 110166612) is N-(4-fluorophenyl)sulfonyl-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(4-fluorophenyl)sulfonyl-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-(4-fluorophenyl)sulfonyl-3-(methylsulfonylmethyl)benzamide is CS(=O)(=O)Cc1cccc(C(=O)NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-(4-fluorophenyl)sulfonyl-3-(methylsulfonylmethyl)benzamide?
The InChIKey is IQLWYABFKWXGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO5S2/c1-23(19,20)10-11-3-2-4-12(9-11)15(18)17-24(21,22)14-7-5-13(16)6-8-14/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-(4-fluorophenyl)sulfonyl-3-(methylsulfonylmethyl)benzamide?
N-(4-fluorophenyl)sulfonyl-3-(methylsulfonylmethyl)benzamide has a molecular weight of 371.41 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)sulfonyl-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 110166612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).