4-ethoxy-N-(4-fluorophenyl)-2,5-dimethylbenzenesulfonamide

C16H18FNO3S — CID 2237332

IUPAC4-ethoxy-N-(4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)Nc2ccc(F)cc2)cc1C
InChIInChI=1S/C16H18FNO3S/c1-4-21-15-9-12(3)16(10-11(15)2)22(19,20)18-14-7-5-13(17)6-8-14/h5-10,18H,4H2,1-3H3
InChIKeyBMITWSUBFVCBOY-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.64
Rot. Bonds5

About 4-ethoxy-N-(4-fluorophenyl)-2,5-dimethylbenzenesulfonamide

4-ethoxy-N-(4-fluorophenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 2237332) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is 4-ethoxy-N-(4-fluorophenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID2237332
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Name4-ethoxy-N-(4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)Nc2ccc(F)cc2)cc1C
InChIInChI=1S/C16H18FNO3S/c1-4-21-15-9-12(3)16(10-11(15)2)22(19,20)18-14-7-5-13(17)6-8-14/h5-10,18H,4H2,1-3H3
InChIKeyBMITWSUBFVCBOY-UHFFFAOYSA-N
XLogP3.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-2-methylphenyl)-4-{2-[(methylsulfonyl)amino]ethoxy}benzenesulfonamide
CID 4919375
N-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 2442232
N-(4-fluorophenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 850027
4-methoxy-N-(2-methoxyphenyl)-3-methylbenzenesulfonamide
CID 893150
N-(4-ethoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 893786
N-cyclohexyl-4-ethoxy-2,5-dimethylbenzenesulfonamide
CID 934725
4-ethoxy-N-(4-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 935391
N-{4-[(4-fluoroanilino)sulfonyl]phenyl}-4-methoxy-3-methylbenzenesulfonamide
CID 983012
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 2236619
N-(4-ethoxyphenyl)-2,4,5-trimethylbenzenesulfonamide
CID 754043
N-(3-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 975471
N-phenyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 2810595

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(4-fluorophenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(4-fluorophenyl)-2,5-dimethylbenzenesulfonamide (CID 2237332) is 4-ethoxy-N-(4-fluorophenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(4-fluorophenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(4-fluorophenyl)-2,5-dimethylbenzenesulfonamide is CCOc1cc(C)c(S(=O)(=O)Nc2ccc(F)cc2)cc1C.
What is the InChIKey of 4-ethoxy-N-(4-fluorophenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is BMITWSUBFVCBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-4-21-15-9-12(3)16(10-11(15)2)22(19,20)18-14-7-5-13(17)6-8-14/h5-10,18H,4H2,1-3H3.
What are the key properties of 4-ethoxy-N-(4-fluorophenyl)-2,5-dimethylbenzenesulfonamide?
4-ethoxy-N-(4-fluorophenyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(4-fluorophenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 2237332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).