4-[5-(4-methoxyphenyl)sulfonylthiophen-2-yl]pyrimidin-2-amine

C15H13N3O3S2 — CID 141147882

IUPAC4-[5-(4-methoxyphenyl)sulfonylthiophen-2-yl]pyrimidin-2-amine
SMILESCOc1ccc(S(=O)(=O)c2ccc(-c3ccnc(N)n3)s2)cc1
InChIInChI=1S/C15H13N3O3S2/c1-21-10-2-4-11(5-3-10)23(19,20)14-7-6-13(22-14)12-8-9-17-15(16)18-12/h2-9H,1H3,(H2,16,17,18)
InChIKeyYTQBEMSCHDRXGK-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.63
Rot. Bonds4

About 4-[5-(4-methoxyphenyl)sulfonylthiophen-2-yl]pyrimidin-2-amine

4-[5-(4-methoxyphenyl)sulfonylthiophen-2-yl]pyrimidin-2-amine (PubChem CID 141147882) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)sulfonylthiophen-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)sulfonylthiophen-2-yl]pyrimidin-2-amine
PubChem CID141147882
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC Name4-[5-(4-methoxyphenyl)sulfonylthiophen-2-yl]pyrimidin-2-amine
SMILESCOc1ccc(S(=O)(=O)c2ccc(-c3ccnc(N)n3)s2)cc1
InChIInChI=1S/C15H13N3O3S2/c1-21-10-2-4-11(5-3-10)23(19,20)14-7-6-13(22-14)12-8-9-17-15(16)18-12/h2-9H,1H3,(H2,16,17,18)
InChIKeyYTQBEMSCHDRXGK-UHFFFAOYSA-N
XLogP2.63
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)sulfonylthiophen-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-[5-(4-methoxyphenyl)sulfonylthiophen-2-yl]pyrimidin-2-amine (CID 141147882) is 4-[5-(4-methoxyphenyl)sulfonylthiophen-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)sulfonylthiophen-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[5-(4-methoxyphenyl)sulfonylthiophen-2-yl]pyrimidin-2-amine is COc1ccc(S(=O)(=O)c2ccc(-c3ccnc(N)n3)s2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)sulfonylthiophen-2-yl]pyrimidin-2-amine?
The InChIKey is YTQBEMSCHDRXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S2/c1-21-10-2-4-11(5-3-10)23(19,20)14-7-6-13(22-14)12-8-9-17-15(16)18-12/h2-9H,1H3,(H2,16,17,18).
What are the key properties of 4-[5-(4-methoxyphenyl)sulfonylthiophen-2-yl]pyrimidin-2-amine?
4-[5-(4-methoxyphenyl)sulfonylthiophen-2-yl]pyrimidin-2-amine has a molecular weight of 347.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)sulfonylthiophen-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 141147882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).