4-ethyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide

C17H20FNO3S — CID 90623053

IUPAC4-ethyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(OC)c2cccc(F)c2)cc1
InChIInChI=1S/C17H20FNO3S/c1-3-13-7-9-16(10-8-13)23(20,21)19-12-17(22-2)14-5-4-6-15(18)11-14/h4-11,17,19H,3,12H2,1-2H3
InChIKeyBHTLZRPQFGGWCK-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.05
Rot. Bonds7

About 4-ethyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide

4-ethyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide (PubChem CID 90623053) has the molecular formula C17H20FNO3S and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-ethyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide
PubChem CID90623053
Molecular FormulaC17H20FNO3S
Molecular Weight337.42 g/mol
Exact Mass337.11
IUPAC Name4-ethyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(OC)c2cccc(F)c2)cc1
InChIInChI=1S/C17H20FNO3S/c1-3-13-7-9-16(10-8-13)23(20,21)19-12-17(22-2)14-5-4-6-15(18)11-14/h4-11,17,19H,3,12H2,1-2H3
InChIKeyBHTLZRPQFGGWCK-UHFFFAOYSA-N
XLogP3.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide (CID 90623053) is 4-ethyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCC(OC)c2cccc(F)c2)cc1.
What is the InChIKey of 4-ethyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide?
The InChIKey is BHTLZRPQFGGWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3S/c1-3-13-7-9-16(10-8-13)23(20,21)19-12-17(22-2)14-5-4-6-15(18)11-14/h4-11,17,19H,3,12H2,1-2H3.
What are the key properties of 4-ethyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide?
4-ethyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide has a molecular weight of 337.42 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide is sourced from PubChem (CID 90623053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).