4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide

C15H16FNO3S — CID 8523206

IUPAC4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2F)cc1
InChIInChI=1S/C15H16FNO3S/c1-3-20-12-5-7-13(8-6-12)21(18,19)17-15-9-4-11(2)10-14(15)16/h4-10,17H,3H2,1-2H3
InChIKeySQFHKZGKYBFSQU-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.33
Rot. Bonds5

About 4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide

4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide (PubChem CID 8523206) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
PubChem CID8523206
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2F)cc1
InChIInChI=1S/C15H16FNO3S/c1-3-20-12-5-7-13(8-6-12)21(18,19)17-15-9-4-11(2)10-14(15)16/h4-10,17H,3H2,1-2H3
InChIKeySQFHKZGKYBFSQU-UHFFFAOYSA-N
XLogP3.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide
CID 7514268
4-(bromomethyl)-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 65480207
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 2121784
3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-fluoro-4-methylphenyl)benzamide
CID 51547155
N-(4-chloro-2-methoxyphenyl)-4-ethoxybenzenesulfonamide
CID 155537500
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
N-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113032010
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide
CID 26717747
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469
N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide
CID 110604794

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide (CID 8523206) is 4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2F)cc1.
What is the InChIKey of 4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide?
The InChIKey is SQFHKZGKYBFSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-3-20-12-5-7-13(8-6-12)21(18,19)17-15-9-4-11(2)10-14(15)16/h4-10,17H,3H2,1-2H3.
What are the key properties of 4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide?
4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-fluoro-4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 8523206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).