4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride

C14H15FNO2S- — CID 21210525

IUPAC4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1.[F-]
InChIInChI=1S/C14H15NO2S.FH/c1-11-6-8-14(9-7-11)18(16,17)15-13-5-3-4-12(2)10-13;/h3-10,15H,1-2H3;1H/p-1
InChIKeyLMZSBNWYRCPDEW-UHFFFAOYSA-M
MW280.34 g/mol
LogP0.11
Rot. Bonds3

About 4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride

4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride (PubChem CID 21210525) has the molecular formula C14H15FNO2S- and a molecular weight of 280.34 g/mol. Its IUPAC name is 4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride.

Molecular Properties

Compound Name4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
PubChem CID21210525
Molecular FormulaC14H15FNO2S-
Molecular Weight280.34 g/mol
Exact Mass280.08
IUPAC Name4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1.[F-]
InChIInChI=1S/C14H15NO2S.FH/c1-11-6-8-14(9-7-11)18(16,17)15-13-5-3-4-12(2)10-13;/h3-10,15H,1-2H3;1H/p-1
InChIKeyLMZSBNWYRCPDEW-UHFFFAOYSA-M
XLogP0.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112985985
[4-[(3-methylphenyl)sulfamoyl]phenyl] 4-methylbenzenesulfonate
CID 20705329
4-(ethylamino)-N-(3-methylphenyl)benzenesulfonamide
CID 62148415
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
4-(2-chlorophenyl)-N-(3-methylphenyl)benzenesulfonamide
CID 143959278
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide
CID 26012625
N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168513402
4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide
CID 169372431
4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide
CID 169370090
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
4-(3-hydroxypropyl)-N-(3-methylphenyl)benzenesulfonamide
CID 39436095

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride?
The IUPAC name of 4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride (CID 21210525) is 4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride.
What is the SMILES notation for 4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride?
The canonical SMILES for 4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride is Cc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1.[F-].
What is the InChIKey of 4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride?
The InChIKey is LMZSBNWYRCPDEW-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H15NO2S.FH/c1-11-6-8-14(9-7-11)18(16,17)15-13-5-3-4-12(2)10-13;/h3-10,15H,1-2H3;1H/p-1.
What are the key properties of 4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride?
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride has a molecular weight of 280.34 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride is sourced from PubChem (CID 21210525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).