5-ethyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide

C16H14FN3O3S2 — CID 122303123

IUPAC5-ethyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)s1
InChIInChI=1S/C16H14FN3O3S2/c1-2-12-7-8-15(24-12)25(21,22)20-11-9-18-16(19-10-11)23-14-6-4-3-5-13(14)17/h3-10,20H,2H2,1H3
InChIKeyDWBIJQGASHAETA-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.83
Rot. Bonds6

About 5-ethyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide

5-ethyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide (PubChem CID 122303123) has the molecular formula C16H14FN3O3S2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-ethyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide
PubChem CID122303123
Molecular FormulaC16H14FN3O3S2
Molecular Weight379.44 g/mol
Exact Mass379.05
IUPAC Name5-ethyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)s1
InChIInChI=1S/C16H14FN3O3S2/c1-2-12-7-8-15(24-12)25(21,22)20-11-9-18-16(19-10-11)23-14-6-4-3-5-13(14)17/h3-10,20H,2H2,1H3
InChIKeyDWBIJQGASHAETA-UHFFFAOYSA-N
XLogP3.83
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide (CID 122303123) is 5-ethyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)s1.
What is the InChIKey of 5-ethyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide?
The InChIKey is DWBIJQGASHAETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S2/c1-2-12-7-8-15(24-12)25(21,22)20-11-9-18-16(19-10-11)23-14-6-4-3-5-13(14)17/h3-10,20H,2H2,1H3.
What are the key properties of 5-ethyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide?
5-ethyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide has a molecular weight of 379.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 122303123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).