N-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide

C16H17F2NO3S — CID 90518736

IUPACN-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide
SMILESCCc1ccc(OCCS(=O)(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H17F2NO3S/c1-2-12-3-6-14(7-4-12)22-9-10-23(20,21)19-13-5-8-15(17)16(18)11-13/h3-8,11,19H,2,9-10H2,1H3
InChIKeySCNABIBRLRNCRT-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.35
Rot. Bonds7

About N-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide

N-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide (PubChem CID 90518736) has the molecular formula C16H17F2NO3S and a molecular weight of 341.38 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide
PubChem CID90518736
Molecular FormulaC16H17F2NO3S
Molecular Weight341.38 g/mol
Exact Mass341.09
IUPAC NameN-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide
SMILESCCc1ccc(OCCS(=O)(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H17F2NO3S/c1-2-12-3-6-14(7-4-12)22-9-10-23(20,21)19-13-5-8-15(17)16(18)11-13/h3-8,11,19H,2,9-10H2,1H3
InChIKeySCNABIBRLRNCRT-UHFFFAOYSA-N
XLogP3.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)ethanesulfonamide
CID 90518914
N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518737
2-(4-ethylphenoxy)-N-(3-nitrophenyl)ethanesulfonamide
CID 90518747
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methoxyethanesulfonamide
CID 110300131
N-(4-bromophenyl)-2-(4-fluorophenoxy)ethanesulfonamide
CID 90518586
2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide
CID 90518830
N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518723
2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide
CID 110299951
2-(4-ethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)ethanesulfonamide
CID 90518762
N-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide
CID 65431442
2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide
CID 90518572
2-(4-fluorophenoxy)-N-(6-methoxy-3-pyridinyl)ethanesulfonamide
CID 110301907

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide (CID 90518736) is N-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide is CCc1ccc(OCCS(=O)(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide?
The InChIKey is SCNABIBRLRNCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3S/c1-2-12-3-6-14(7-4-12)22-9-10-23(20,21)19-13-5-8-15(17)16(18)11-13/h3-8,11,19H,2,9-10H2,1H3.
What are the key properties of N-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide?
N-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide has a molecular weight of 341.38 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide is sourced from PubChem (CID 90518736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).