N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide

C14H14FNO2S — CID 17377370

IUPACN-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C
InChIInChI=1S/C14H14FNO2S/c1-10-7-8-12(9-11(10)2)19(17,18)16-14-6-4-3-5-13(14)15/h3-9,16H,1-2H3
InChIKeyNDEJDBBJPYXFFG-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.24
Rot. Bonds3

About N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide

N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 17377370) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
PubChem CID17377370
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC NameN-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C
InChIInChI=1S/C14H14FNO2S/c1-10-7-8-12(9-11(10)2)19(17,18)16-14-6-4-3-5-13(14)15/h3-9,16H,1-2H3
InChIKeyNDEJDBBJPYXFFG-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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Related Compounds

N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
3-[(2-fluorophenyl)sulfamoyl]-4-methylbenzenesulfonyl chloride
CID 16782218
N-cyclopropyl-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26693958
3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 28536061
N-[2-fluoro-5-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 17376520
N-[2-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 65030743
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272
N-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 79602574
3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide
CID 43257631
N-(2-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7107842
N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26950174
N-(2-fluorophenyl)-4-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 8707607

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide (CID 17377370) is N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C.
What is the InChIKey of N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is NDEJDBBJPYXFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-10-7-8-12(9-11(10)2)19(17,18)16-14-6-4-3-5-13(14)15/h3-9,16H,1-2H3.
What are the key properties of N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide?
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide 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 N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 17377370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).