2-ethyl-2-[(3-fluoro-4-methylphenoxy)methyl]butane-1-sulfonamide

C14H22FNO3S — CID 107171159

IUPAC2-ethyl-2-[(3-fluoro-4-methylphenoxy)methyl]butane-1-sulfonamide
SMILESCCC(CC)(COc1ccc(C)c(F)c1)CS(N)(=O)=O
InChIInChI=1S/C14H22FNO3S/c1-4-14(5-2,10-20(16,17)18)9-19-12-7-6-11(3)13(15)8-12/h6-8H,4-5,9-10H2,1-3H3,(H2,16,17,18)
InChIKeyHPHMHCJOCQIGKD-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.61
Rot. Bonds7

About 2-ethyl-2-[(3-fluoro-4-methylphenoxy)methyl]butane-1-sulfonamide

2-ethyl-2-[(3-fluoro-4-methylphenoxy)methyl]butane-1-sulfonamide (PubChem CID 107171159) has the molecular formula C14H22FNO3S and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-ethyl-2-[(3-fluoro-4-methylphenoxy)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name2-ethyl-2-[(3-fluoro-4-methylphenoxy)methyl]butane-1-sulfonamide
PubChem CID107171159
Molecular FormulaC14H22FNO3S
Molecular Weight303.40 g/mol
Exact Mass303.13
IUPAC Name2-ethyl-2-[(3-fluoro-4-methylphenoxy)methyl]butane-1-sulfonamide
SMILESCCC(CC)(COc1ccc(C)c(F)c1)CS(N)(=O)=O
InChIInChI=1S/C14H22FNO3S/c1-4-14(5-2,10-20(16,17)18)9-19-12-7-6-11(3)13(15)8-12/h6-8H,4-5,9-10H2,1-3H3,(H2,16,17,18)
InChIKeyHPHMHCJOCQIGKD-UHFFFAOYSA-N
XLogP2.61
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethoxyphenoxy)methyl]-2-ethylbutane-1-sulfonamide
CID 65003642
2-ethyl-2-[(3-ethylphenoxy)methyl]butane-1-sulfonamide
CID 65004097
2-amino-3-(3-fluoro-4-methylphenoxy)-2-methylpropanamide
CID 107170404
2-ethyl-2-[(2,3,5-trimethylphenoxy)methyl]butane-1-sulfonamide
CID 65003897
2-[(3-fluorophenoxy)methyl]-2-propylpentane-1-sulfonamide
CID 65005106
2-[(3-methylphenoxy)methyl]-2-propylpentane-1-sulfonamide
CID 65005010
3-(3-fluoro-4-methylphenoxy)-2,2-dimethylpropanoic acid
CID 107168426
N-[2-(3-fluoro-4-methylphenoxy)ethyl]-2-methylbutan-2-amine
CID 107170931
2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane
CID 91055854
2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
2-amino-2-cyclopropyl-3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107170442
2-ethyl-2-[(4-ethylphenoxy)methyl]butane-1-sulfonyl chloride
CID 65003476

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-fluoro-4-methylphenoxy)methyl]butane-1-sulfonamide?
The IUPAC name of 2-ethyl-2-[(3-fluoro-4-methylphenoxy)methyl]butane-1-sulfonamide (CID 107171159) is 2-ethyl-2-[(3-fluoro-4-methylphenoxy)methyl]butane-1-sulfonamide.
What is the SMILES notation for 2-ethyl-2-[(3-fluoro-4-methylphenoxy)methyl]butane-1-sulfonamide?
The canonical SMILES for 2-ethyl-2-[(3-fluoro-4-methylphenoxy)methyl]butane-1-sulfonamide is CCC(CC)(COc1ccc(C)c(F)c1)CS(N)(=O)=O.
What is the InChIKey of 2-ethyl-2-[(3-fluoro-4-methylphenoxy)methyl]butane-1-sulfonamide?
The InChIKey is HPHMHCJOCQIGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO3S/c1-4-14(5-2,10-20(16,17)18)9-19-12-7-6-11(3)13(15)8-12/h6-8H,4-5,9-10H2,1-3H3,(H2,16,17,18).
What are the key properties of 2-ethyl-2-[(3-fluoro-4-methylphenoxy)methyl]butane-1-sulfonamide?
2-ethyl-2-[(3-fluoro-4-methylphenoxy)methyl]butane-1-sulfonamide has a molecular weight of 303.40 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(3-fluoro-4-methylphenoxy)methyl]butane-1-sulfonamide is sourced from PubChem (CID 107171159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).