5-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyrimidine

C13H12N2O3S — CID 155519258

IUPAC5-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyrimidine
SMILESCOc1cccc(S(=O)(=O)/C=C/c2cncnc2)c1
InChIInChI=1S/C13H12N2O3S/c1-18-12-3-2-4-13(7-12)19(16,17)6-5-11-8-14-10-15-9-11/h2-10H,1H3/b6-5+
InChIKeyWOWMILUBFBANCK-AATRIKPKSA-N
MW276.32 g/mol
LogP1.93
Rot. Bonds4

About 5-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyrimidine

5-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyrimidine (PubChem CID 155519258) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 5-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyrimidine.

Molecular Properties

Compound Name5-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyrimidine
PubChem CID155519258
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name5-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyrimidine
SMILESCOc1cccc(S(=O)(=O)/C=C/c2cncnc2)c1
InChIInChI=1S/C13H12N2O3S/c1-18-12-3-2-4-13(7-12)19(16,17)6-5-11-8-14-10-15-9-11/h2-10H,1H3/b6-5+
InChIKeyWOWMILUBFBANCK-AATRIKPKSA-N
XLogP1.93
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 669141
Sodium [3-(2-methoxyethoxy)benzene-1-sulfonyl](pyrimidin-2-yl)azanide
CID 23691021
4,6-dichloro-5-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyrimidine
CID 72190605
(E)-3-fluoro-2-((4-(((2-(pyrrolidin-1-yl)pyrimidin-5-yl)methyl)sulfonyl)phenoxy)methyl) prop-2-en-1-amine
CID 156362720
4-[(3-Methoxyphenyl)sulfanyl]-2-phenyl-5-pyrimidinyl methyl sulfone
CID 1487960
Pyrimidine, 2,4-diamino-5-(p-methoxyphenylthio)-
CID 23423598
5-[(4-methoxyphenyl)sulfonyl]-N~2~,N~2~-dipropylpyrimidine-2,4-diamine
CID 53490732
5-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyrimidine
CID 155520452
5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyrimidine
CID 155525419
2-[(3-Methoxyphenyl)methylsulfanyl]pyrimidine
CID 472966
2-[(4-Methoxyphenyl)methylsulfanyl]pyrimidine
CID 472969
2-(4-Methoxyphenyl)sulfanylpyrimidine
CID 472998

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyrimidine?
The IUPAC name of 5-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyrimidine (CID 155519258) is 5-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyrimidine.
What is the SMILES notation for 5-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyrimidine?
The canonical SMILES for 5-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyrimidine is COc1cccc(S(=O)(=O)/C=C/c2cncnc2)c1.
What is the InChIKey of 5-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyrimidine?
The InChIKey is WOWMILUBFBANCK-AATRIKPKSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-18-12-3-2-4-13(7-12)19(16,17)6-5-11-8-14-10-15-9-11/h2-10H,1H3/b6-5+.
What are the key properties of 5-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyrimidine?
5-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyrimidine has a molecular weight of 276.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyrimidine is sourced from PubChem (CID 155519258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).