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

C14H9BrFN3O3S2 — CID 122303139

IUPAC5-bromo-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1ccc(Br)s1
InChIInChI=1S/C14H9BrFN3O3S2/c15-12-5-6-13(23-12)24(20,21)19-9-7-17-14(18-8-9)22-11-4-2-1-3-10(11)16/h1-8,19H
InChIKeyTZOLLQSCSNCCRU-UHFFFAOYSA-N
MW430.28 g/mol
LogP4.03
Rot. Bonds5

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

5-bromo-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide (PubChem CID 122303139) has the molecular formula C14H9BrFN3O3S2 and a molecular weight of 430.28 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide
PubChem CID122303139
Molecular FormulaC14H9BrFN3O3S2
Molecular Weight430.28 g/mol
Exact Mass428.93
IUPAC Name5-bromo-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1ccc(Br)s1
InChIInChI=1S/C14H9BrFN3O3S2/c15-12-5-6-13(23-12)24(20,21)19-9-7-17-14(18-8-9)22-11-4-2-1-3-10(11)16/h1-8,19H
InChIKeyTZOLLQSCSNCCRU-UHFFFAOYSA-N
XLogP4.03
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.28
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide (CID 122303139) is 5-bromo-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide?
The InChIKey is TZOLLQSCSNCCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O3S2/c15-12-5-6-13(23-12)24(20,21)19-9-7-17-14(18-8-9)22-11-4-2-1-3-10(11)16/h1-8,19H.
What are the key properties of 5-bromo-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide?
5-bromo-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide has a molecular weight of 430.28 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 122303139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).