4-fluoro-3-methyl-N-(2-methylphenyl)benzenesulfonamide

C14H14FNO2S — CID 977264

IUPAC4-fluoro-3-methyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2C)ccc1F
InChIInChI=1S/C14H14FNO2S/c1-10-5-3-4-6-14(10)16-19(17,18)12-7-8-13(15)11(2)9-12/h3-9,16H,1-2H3
InChIKeyALMKQHFQCZKXAB-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.24
Rot. Bonds3

About 4-fluoro-3-methyl-N-(2-methylphenyl)benzenesulfonamide

4-fluoro-3-methyl-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 977264) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(2-methylphenyl)benzenesulfonamide
PubChem CID977264
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name4-fluoro-3-methyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2C)ccc1F
InChIInChI=1S/C14H14FNO2S/c1-10-5-3-4-6-14(10)16-19(17,18)12-7-8-13(15)11(2)9-12/h3-9,16H,1-2H3
InChIKeyALMKQHFQCZKXAB-UHFFFAOYSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-(2-methylphenyl)benzenesulfonamide (CID 977264) is 4-fluoro-3-methyl-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(2-methylphenyl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccccc2C)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is ALMKQHFQCZKXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-10-5-3-4-6-14(10)16-19(17,18)12-7-8-13(15)11(2)9-12/h3-9,16H,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-(2-methylphenyl)benzenesulfonamide?
4-fluoro-3-methyl-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 279.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 977264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).