(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide

C21H18N4O2S — CID 122285710

IUPAC(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1
InChIInChI=1S/C21H18N4O2S/c1-16-3-5-17(6-4-16)11-14-28(26,27)24-19-9-7-18(8-10-19)20-15-25-13-2-12-22-21(25)23-20/h2-15,24H,1H3/b14-11+
InChIKeyUSPNXGCPCLZFIO-SDNWHVSQSA-N
MW390.47 g/mol
LogP4.12
Rot. Bonds5

About (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide

(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide (PubChem CID 122285710) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide
PubChem CID122285710
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1
InChIInChI=1S/C21H18N4O2S/c1-16-3-5-17(6-4-16)11-14-28(26,27)24-19-9-7-18(8-10-19)20-15-25-13-2-12-22-21(25)23-20/h2-15,24H,1H3/b14-11+
InChIKeyUSPNXGCPCLZFIO-SDNWHVSQSA-N
XLogP4.12
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2-phenylethenesulfonamide
CID 122285377
(E)-N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide
CID 122284779
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide
CID 121028727
3-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylbenzenesulfonamide
CID 122285699
2,4-dichloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylbenzenesulfonamide
CID 122285702
(E)-3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
CID 98846407
3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
CID 55825812
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,5-dimethylaniline
CID 121335716
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzamide
CID 121033061
(E)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 121148841
5-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 6494020
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide
CID 121055508

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide (CID 122285710) is (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1.
What is the InChIKey of (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide?
The InChIKey is USPNXGCPCLZFIO-SDNWHVSQSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-16-3-5-17(6-4-16)11-14-28(26,27)24-19-9-7-18(8-10-19)20-15-25-13-2-12-22-21(25)23-20/h2-15,24H,1H3/b14-11+.
What are the key properties of (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide?
(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide has a molecular weight of 390.47 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 122285710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).