2,4-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide

C15H15F2NO3S — CID 6736524

IUPAC2,4-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1cccc(CCNS(=O)(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C15H15F2NO3S/c1-21-13-4-2-3-11(9-13)7-8-18-22(19,20)15-6-5-12(16)10-14(15)17/h2-6,9-10,18H,7-8H2,1H3
InChIKeyBERFJHVVEPZMLB-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.49
Rot. Bonds6

About 2,4-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide

2,4-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 6736524) has the molecular formula C15H15F2NO3S and a molecular weight of 327.35 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID6736524
Molecular FormulaC15H15F2NO3S
Molecular Weight327.35 g/mol
Exact Mass327.07
IUPAC Name2,4-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1cccc(CCNS(=O)(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C15H15F2NO3S/c1-21-13-4-2-3-11(9-13)7-8-18-22(19,20)15-6-5-12(16)10-14(15)17/h2-6,9-10,18H,7-8H2,1H3
InChIKeyBERFJHVVEPZMLB-UHFFFAOYSA-N
XLogP2.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide (CID 6736524) is 2,4-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide is COc1cccc(CCNS(=O)(=O)c2ccc(F)cc2F)c1.
What is the InChIKey of 2,4-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is BERFJHVVEPZMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3S/c1-21-13-4-2-3-11(9-13)7-8-18-22(19,20)15-6-5-12(16)10-14(15)17/h2-6,9-10,18H,7-8H2,1H3.
What are the key properties of 2,4-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide?
2,4-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 327.35 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 6736524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).