4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide

C15H16FNO3S — CID 99695461

IUPAC4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)c2cccc(F)c2)cc1
InChIInChI=1S/C15H16FNO3S/c1-3-20-14-7-9-15(10-8-14)21(18,19)17(2)13-6-4-5-12(16)11-13/h4-11H,3H2,1-2H3
InChIKeyLFXMVYKGXLNZDT-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.05
Rot. Bonds5

About 4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide

4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide (PubChem CID 99695461) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
PubChem CID99695461
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)c2cccc(F)c2)cc1
InChIInChI=1S/C15H16FNO3S/c1-3-20-14-7-9-15(10-8-14)21(18,19)17(2)13-6-4-5-12(16)11-13/h4-11H,3H2,1-2H3
InChIKeyLFXMVYKGXLNZDT-UHFFFAOYSA-N
XLogP3.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 64585359
N-(3-fluorophenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 99695445
N-(3-ethoxyphenyl)-N-methylnaphthalene-2-sulfonamide
CID 100535072
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 95969458
N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 99705186
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide
CID 55346376
N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 99705183
N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502447
3-amino-4-chloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 58022194
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 3563496
3-fluoro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 75436098
N-[(3,5-dimethoxyphenyl)methyl]-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021868

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide (CID 99695461) is 4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)c2cccc(F)c2)cc1.
What is the InChIKey of 4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide?
The InChIKey is LFXMVYKGXLNZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-3-20-14-7-9-15(10-8-14)21(18,19)17(2)13-6-4-5-12(16)11-13/h4-11H,3H2,1-2H3.
What are the key properties of 4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide?
4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 99695461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).