N-(3-fluoro-4-propan-2-yloxyphenyl)ethanesulfonamide

C11H16FNO3S — CID 110777486

IUPACN-(3-fluoro-4-propan-2-yloxyphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(OC(C)C)c(F)c1
InChIInChI=1S/C11H16FNO3S/c1-4-17(14,15)13-9-5-6-11(10(12)7-9)16-8(2)3/h5-8,13H,4H2,1-3H3
InChIKeyRHJIOGCHNKQMIY-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.37
Rot. Bonds5

About N-(3-fluoro-4-propan-2-yloxyphenyl)ethanesulfonamide

N-(3-fluoro-4-propan-2-yloxyphenyl)ethanesulfonamide (PubChem CID 110777486) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(3-fluoro-4-propan-2-yloxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-propan-2-yloxyphenyl)ethanesulfonamide
PubChem CID110777486
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC NameN-(3-fluoro-4-propan-2-yloxyphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(OC(C)C)c(F)c1
InChIInChI=1S/C11H16FNO3S/c1-4-17(14,15)13-9-5-6-11(10(12)7-9)16-8(2)3/h5-8,13H,4H2,1-3H3
InChIKeyRHJIOGCHNKQMIY-UHFFFAOYSA-N
XLogP2.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 110777493
N-(3-fluoro-4-propan-2-yloxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110777500
3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758244
1-cyano-N-(4-ethoxy-3-fluorophenyl)methanesulfonamide
CID 113399764
N-(4-ethoxy-3-fluorophenyl)butane-1-sulfonamide
CID 110777401
3-fluoro-4-propan-2-yloxybenzenesulfonic acid
CID 82475780
N-(3-bromo-4-fluorophenyl)ethanesulfonamide
CID 104779628
1-(3-fluoro-4-propan-2-yloxyphenyl)-3-propan-2-ylurea
CID 110774555
3-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropane-1-sulfonamide
CID 79585676
N-(3-methyl-4-propan-2-yloxyphenyl)methanesulfonamide
CID 20737165
N-(4-fluoro-3-formylphenyl)ethanesulfonamide
CID 58259141
3-[(3-chloro-4-propan-2-yloxyphenyl)sulfamoyl]propanoic acid
CID 43715511

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-propan-2-yloxyphenyl)ethanesulfonamide?
The IUPAC name of N-(3-fluoro-4-propan-2-yloxyphenyl)ethanesulfonamide (CID 110777486) is N-(3-fluoro-4-propan-2-yloxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-(3-fluoro-4-propan-2-yloxyphenyl)ethanesulfonamide?
The canonical SMILES for N-(3-fluoro-4-propan-2-yloxyphenyl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc(OC(C)C)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-propan-2-yloxyphenyl)ethanesulfonamide?
The InChIKey is RHJIOGCHNKQMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-4-17(14,15)13-9-5-6-11(10(12)7-9)16-8(2)3/h5-8,13H,4H2,1-3H3.
What are the key properties of N-(3-fluoro-4-propan-2-yloxyphenyl)ethanesulfonamide?
N-(3-fluoro-4-propan-2-yloxyphenyl)ethanesulfonamide has a molecular weight of 261.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-propan-2-yloxyphenyl)ethanesulfonamide is sourced from PubChem (CID 110777486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).