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

C15H12FN3O3S2 — CID 122303124

IUPACN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)s1
InChIInChI=1S/C15H12FN3O3S2/c1-10-6-7-14(23-10)24(20,21)19-11-8-17-15(18-9-11)22-13-5-3-2-4-12(13)16/h2-9,19H,1H3
InChIKeyDZCRWEQZOVCZCO-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.58
Rot. Bonds5

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

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methylthiophene-2-sulfonamide (PubChem CID 122303124) has the molecular formula C15H12FN3O3S2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methylthiophene-2-sulfonamide
PubChem CID122303124
Molecular FormulaC15H12FN3O3S2
Molecular Weight365.41 g/mol
Exact Mass365.03
IUPAC NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)s1
InChIInChI=1S/C15H12FN3O3S2/c1-10-6-7-14(23-10)24(20,21)19-11-8-17-15(18-9-11)22-13-5-3-2-4-12(13)16/h2-9,19H,1H3
InChIKeyDZCRWEQZOVCZCO-UHFFFAOYSA-N
XLogP3.58
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methylthiophene-2-sulfonamide (CID 122303124) is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2cnc(Oc3ccccc3F)nc2)s1.
What is the InChIKey of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methylthiophene-2-sulfonamide?
The InChIKey is DZCRWEQZOVCZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S2/c1-10-6-7-14(23-10)24(20,21)19-11-8-17-15(18-9-11)22-13-5-3-2-4-12(13)16/h2-9,19H,1H3.
What are the key properties of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methylthiophene-2-sulfonamide?
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methylthiophene-2-sulfonamide has a molecular weight of 365.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 122303124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).