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

C16H19FN2O4S — CID 59191391

IUPAC2-amino-N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]ethanesulfonamide
SMILESCCc1ccc(Oc2ccc(NS(=O)(=O)CCN)cc2F)c(O)c1
InChIInChI=1S/C16H19FN2O4S/c1-2-11-3-5-16(14(20)9-11)23-15-6-4-12(10-13(15)17)19-24(21,22)8-7-18/h3-6,9-10,19-20H,2,7-8,18H2,1H3
InChIKeyWSVBTCBRXHWPRP-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.59
Rot. Bonds7

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

2-amino-N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]ethanesulfonamide (PubChem CID 59191391) has the molecular formula C16H19FN2O4S and a molecular weight of 354.40 g/mol. Its IUPAC name is 2-amino-N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]ethanesulfonamide
PubChem CID59191391
Molecular FormulaC16H19FN2O4S
Molecular Weight354.40 g/mol
Exact Mass354.10
IUPAC Name2-amino-N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]ethanesulfonamide
SMILESCCc1ccc(Oc2ccc(NS(=O)(=O)CCN)cc2F)c(O)c1
InChIInChI=1S/C16H19FN2O4S/c1-2-11-3-5-16(14(20)9-11)23-15-6-4-12(10-13(15)17)19-24(21,22)8-7-18/h3-6,9-10,19-20H,2,7-8,18H2,1H3
InChIKeyWSVBTCBRXHWPRP-UHFFFAOYSA-N
XLogP2.59
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

CID 44450091
CID 44450091
CID 52946825
CID 52946825
CID 59191320
CID 59191320
CID 59191420
CID 59191420
CID 1484632
CID 1484632
CID 18789968
CID 18789968
CID 15072508
CID 15072508
CID 15072530
CID 15072530
CID 25107694
CID 25107694
CID 18789936
CID 18789936
CID 18789985
CID 18789985
CID 23323127
CID 23323127

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]ethanesulfonamide?
The IUPAC name of 2-amino-N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]ethanesulfonamide (CID 59191391) is 2-amino-N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]ethanesulfonamide.
What is the SMILES notation for 2-amino-N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]ethanesulfonamide?
The canonical SMILES for 2-amino-N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]ethanesulfonamide is CCc1ccc(Oc2ccc(NS(=O)(=O)CCN)cc2F)c(O)c1.
What is the InChIKey of 2-amino-N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]ethanesulfonamide?
The InChIKey is WSVBTCBRXHWPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O4S/c1-2-11-3-5-16(14(20)9-11)23-15-6-4-12(10-13(15)17)19-24(21,22)8-7-18/h3-6,9-10,19-20H,2,7-8,18H2,1H3.
What are the key properties of 2-amino-N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]ethanesulfonamide?
2-amino-N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]ethanesulfonamide has a molecular weight of 354.40 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]ethanesulfonamide is sourced from PubChem (CID 59191391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).