5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide

C14H13F2NO2S — CID 47309539

IUPAC5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1cc(F)ccc1C
InChIInChI=1S/C14H13F2NO2S/c1-9-3-5-11(15)7-13(9)17-20(18,19)14-8-12(16)6-4-10(14)2/h3-8,17H,1-2H3
InChIKeyNYDSBYPAEDKWQP-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.38
Rot. Bonds3

About 5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide

5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide (PubChem CID 47309539) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is 5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
PubChem CID47309539
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC Name5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1cc(F)ccc1C
InChIInChI=1S/C14H13F2NO2S/c1-9-3-5-11(15)7-13(9)17-20(18,19)14-8-12(16)6-4-10(14)2/h3-8,17H,1-2H3
InChIKeyNYDSBYPAEDKWQP-UHFFFAOYSA-N
XLogP3.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 7939111
5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 106831907
N-(5-fluoro-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62142787
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 43257739
N-(5-amino-2,4-difluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43550936
5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 86768448
N-(5-amino-2-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344317
N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610711
2-(aminomethyl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 16781852
N-(5-chloro-2-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344384
N-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide
CID 113093007

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide (CID 47309539) is 5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide is Cc1ccc(F)cc1NS(=O)(=O)c1cc(F)ccc1C.
What is the InChIKey of 5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is NYDSBYPAEDKWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2S/c1-9-3-5-11(15)7-13(9)17-20(18,19)14-8-12(16)6-4-10(14)2/h3-8,17H,1-2H3.
What are the key properties of 5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide?
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide has a molecular weight of 297.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 47309539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).