5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyrimidine

C13H12N2O3S — CID 155525419

IUPAC5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyrimidine
SMILESCOc1ccc(S(=O)(=O)/C=C/c2cncnc2)cc1
InChIInChI=1S/C13H12N2O3S/c1-18-12-2-4-13(5-3-12)19(16,17)7-6-11-8-14-10-15-9-11/h2-10H,1H3/b7-6+
InChIKeyURFTUHOMNPUYDD-VOTSOKGWSA-N
MW276.32 g/mol
LogP1.93
Rot. Bonds4

About 5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyrimidine

5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyrimidine (PubChem CID 155525419) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyrimidine.

Molecular Properties

Compound Name5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyrimidine
PubChem CID155525419
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyrimidine
SMILESCOc1ccc(S(=O)(=O)/C=C/c2cncnc2)cc1
InChIInChI=1S/C13H12N2O3S/c1-18-12-2-4-13(5-3-12)19(16,17)7-6-11-8-14-10-15-9-11/h2-10H,1H3/b7-6+
InChIKeyURFTUHOMNPUYDD-VOTSOKGWSA-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
7-(5-Ethylpyrimidin-2-yl)-2-[3-(4-methylsulfonylphenoxy)propyl]-7-azaspiro[3.5]nonane
CID 76683715
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
5-methoxy-4-[(4-methoxyphenyl)sulfanyl]-N,N-dimethyl-2-pyrimidinamine
CID 1479127
5-[(E)-2-(3-methoxyphenyl)sulfonylethenyl]pyrimidine
CID 155519258
Methyl 4-{[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl}phenyl ether
CID 897205
Pyrimidine, 2,4-diamino-5-(p-methoxyphenylthio)-
CID 23423598
5-[(4-methoxyphenyl)sulfonyl]-N~2~,N~2~-dipropylpyrimidine-2,4-diamine
CID 53490732
N-(2-(dimethylamino)pyrimidin-5-yl)-4-methoxybenzenesulfonamide
CID 71790160
5-Methyl-4-(4-((4-(trifluoromethoxy)phenyl)sulfonyl)piperazin-1-yl)pyrimidine
CID 71795091

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyrimidine?
The IUPAC name of 5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyrimidine (CID 155525419) is 5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyrimidine.
What is the SMILES notation for 5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyrimidine?
The canonical SMILES for 5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyrimidine is COc1ccc(S(=O)(=O)/C=C/c2cncnc2)cc1.
What is the InChIKey of 5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyrimidine?
The InChIKey is URFTUHOMNPUYDD-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-18-12-2-4-13(5-3-12)19(16,17)7-6-11-8-14-10-15-9-11/h2-10H,1H3/b7-6+.
What are the key properties of 5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyrimidine?
5-[(E)-2-(4-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-(4-methoxyphenyl)sulfonylethenyl]pyrimidine is sourced from PubChem (CID 155525419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).