N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]cyclopropanesulfonamide

C17H18FNO4S — CID 59191420

IUPACN-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]cyclopropanesulfonamide
SMILESCCc1ccc(Oc2ccc(NS(=O)(=O)C3CC3)cc2F)c(O)c1
InChIInChI=1S/C17H18FNO4S/c1-2-11-3-7-17(15(20)9-11)23-16-8-4-12(10-14(16)18)19-24(21,22)13-5-6-13/h3-4,7-10,13,19-20H,2,5-6H2,1H3
InChIKeyBRFQLYBIHOTXOS-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.79
Rot. Bonds6

About N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]cyclopropanesulfonamide

N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]cyclopropanesulfonamide (PubChem CID 59191420) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]cyclopropanesulfonamide
PubChem CID59191420
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC NameN-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]cyclopropanesulfonamide
SMILESCCc1ccc(Oc2ccc(NS(=O)(=O)C3CC3)cc2F)c(O)c1
InChIInChI=1S/C17H18FNO4S/c1-2-11-3-7-17(15(20)9-11)23-16-8-4-12(10-14(16)18)19-24(21,22)13-5-6-13/h3-4,7-10,13,19-20H,2,5-6H2,1H3
InChIKeyBRFQLYBIHOTXOS-UHFFFAOYSA-N
XLogP3.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]cyclopropanesulfonamide (CID 59191420) is N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]cyclopropanesulfonamide is CCc1ccc(Oc2ccc(NS(=O)(=O)C3CC3)cc2F)c(O)c1.
What is the InChIKey of N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]cyclopropanesulfonamide?
The InChIKey is BRFQLYBIHOTXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4S/c1-2-11-3-7-17(15(20)9-11)23-16-8-4-12(10-14(16)18)19-24(21,22)13-5-6-13/h3-4,7-10,13,19-20H,2,5-6H2,1H3.
What are the key properties of N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]cyclopropanesulfonamide?
N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]cyclopropanesulfonamide has a molecular weight of 351.40 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]cyclopropanesulfonamide is sourced from PubChem (CID 59191420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).