2-fluoro-N-(4-methylphenyl)sulfonylbenzamide

C14H12FNO3S — CID 2147256

IUPAC2-fluoro-N-(4-methylphenyl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C14H12FNO3S/c1-10-6-8-11(9-7-10)20(18,19)16-14(17)12-4-2-3-5-13(12)15/h2-9H,1H3,(H,16,17)
InChIKeyFMVUBEARDNVFLN-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.25
Rot. Bonds3

About 2-fluoro-N-(4-methylphenyl)sulfonylbenzamide

2-fluoro-N-(4-methylphenyl)sulfonylbenzamide (PubChem CID 2147256) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-fluoro-N-(4-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-methylphenyl)sulfonylbenzamide
PubChem CID2147256
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC Name2-fluoro-N-(4-methylphenyl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C14H12FNO3S/c1-10-6-8-11(9-7-10)20(18,19)16-14(17)12-4-2-3-5-13(12)15/h2-9H,1H3,(H,16,17)
InChIKeyFMVUBEARDNVFLN-UHFFFAOYSA-N
XLogP2.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-methylphenyl)sulfonylbenzamide?
The IUPAC name of 2-fluoro-N-(4-methylphenyl)sulfonylbenzamide (CID 2147256) is 2-fluoro-N-(4-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for 2-fluoro-N-(4-methylphenyl)sulfonylbenzamide?
The canonical SMILES for 2-fluoro-N-(4-methylphenyl)sulfonylbenzamide is Cc1ccc(S(=O)(=O)NC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-(4-methylphenyl)sulfonylbenzamide?
The InChIKey is FMVUBEARDNVFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3S/c1-10-6-8-11(9-7-10)20(18,19)16-14(17)12-4-2-3-5-13(12)15/h2-9H,1H3,(H,16,17).
What are the key properties of 2-fluoro-N-(4-methylphenyl)sulfonylbenzamide?
2-fluoro-N-(4-methylphenyl)sulfonylbenzamide has a molecular weight of 293.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 2147256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).