N-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide

C15H16FNO2S — CID 100502093

IUPACN-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
SMILESCCc1ccccc1N(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO2S/c1-3-12-6-4-5-7-15(12)17(2)20(18,19)14-10-8-13(16)9-11-14/h4-11H,3H2,1-2H3
InChIKeyTWPYWZGTRCFSTA-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.21
Rot. Bonds4

About N-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide

N-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 100502093) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
PubChem CID100502093
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC NameN-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
SMILESCCc1ccccc1N(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO2S/c1-3-12-6-4-5-7-15(12)17(2)20(18,19)14-10-8-13(16)9-11-14/h4-11H,3H2,1-2H3
InChIKeyTWPYWZGTRCFSTA-UHFFFAOYSA-N
XLogP3.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 51096183
N-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 47359938
N-(3-amino-4-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 39444301
4-fluoro-N-methyl-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
CID 100504493
4-fluoro-N-methyl-N-(2-naphthalen-1-ylethyl)benzenesulfonamide
CID 154857610
N-methyl-N-[2-[(E)-pent-3-enyl]phenyl]benzenesulfonamide
CID 142638035
N-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
CID 2442734
N-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100503345
methyl 4-[(2-ethylphenyl)-methylsulfamoyl]-1-methylpyrrole-2-carboxylate
CID 20938635
4-fluoro-N-hydroxy-N-methylbenzenesulfonamide
CID 130971080
N-(2,6-diethylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2988526
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-fluorobenzenesulfonamide
CID 26542292

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide (CID 100502093) is N-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide is CCc1ccccc1N(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is TWPYWZGTRCFSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-3-12-6-4-5-7-15(12)17(2)20(18,19)14-10-8-13(16)9-11-14/h4-11H,3H2,1-2H3.
What are the key properties of N-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide?
N-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 293.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 100502093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).