N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide

C14H15FN2O3S — CID 28755040

IUPACN-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide
SMILESNCCOc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C14H15FN2O3S/c15-11-4-6-14(7-5-11)21(18,19)17-12-2-1-3-13(10-12)20-9-8-16/h1-7,10,17H,8-9,16H2
InChIKeyLEHOOFBSZPZDAD-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.96
Rot. Bonds6

About N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide

N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide (PubChem CID 28755040) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide
PubChem CID28755040
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide
SMILESNCCOc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C14H15FN2O3S/c15-11-4-6-14(7-5-11)21(18,19)17-12-2-1-3-13(10-12)20-9-8-16/h1-7,10,17H,8-9,16H2
InChIKeyLEHOOFBSZPZDAD-UHFFFAOYSA-N
XLogP1.96
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide
CID 28755028
N-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide
CID 63120987
N-[3-(2-aminoethoxy)phenyl]cyclopropanesulfonamide
CID 64554905
N-[3-(2-aminoethoxy)phenyl]azepane-1-sulfonamide
CID 43369656
N-[3-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 28755050
4-fluoro-N-[3-(hydroxymethoxy)phenyl]-3-nitrobenzenesulfonamide
CID 70121004
4-fluoro-N-[3-[(4-fluorophenyl)methoxymethyl]phenyl]benzenesulfonamide
CID 1490745
2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid
CID 17341772
4-methyl-N-[3-(2-pyridin-2-ylethoxy)phenyl]benzenesulfonamide
CID 169372850
2-[[3-(2-aminoethoxy)phenyl]sulfamoyl]propanoic acid
CID 63120963
4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide
CID 14127632
4-methylsulfonyl-N-(3-prop-2-enoxyphenyl)benzenesulfonamide
CID 94664257

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide (CID 28755040) is N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide is NCCOc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is LEHOOFBSZPZDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c15-11-4-6-14(7-5-11)21(18,19)17-12-2-1-3-13(10-12)20-9-8-16/h1-7,10,17H,8-9,16H2.
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide?
N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 28755040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).