2,4-dichloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylbenzenesulfonamide

C19H14Cl2N4O2S — CID 122285702

IUPAC2,4-dichloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c(Cl)cc1Cl
InChIInChI=1S/C19H14Cl2N4O2S/c1-12-9-18(16(21)10-15(12)20)28(26,27)24-14-5-3-13(4-6-14)17-11-25-8-2-7-22-19(25)23-17/h2-11,24H,1H3
InChIKeyRUQDTXCNRAUIEA-UHFFFAOYSA-N
MW433.32 g/mol
LogP4.81
Rot. Bonds4

About 2,4-dichloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylbenzenesulfonamide

2,4-dichloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylbenzenesulfonamide (PubChem CID 122285702) has the molecular formula C19H14Cl2N4O2S and a molecular weight of 433.32 g/mol. Its IUPAC name is 2,4-dichloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylbenzenesulfonamide
PubChem CID122285702
Molecular FormulaC19H14Cl2N4O2S
Molecular Weight433.32 g/mol
Exact Mass432.02
IUPAC Name2,4-dichloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c(Cl)cc1Cl
InChIInChI=1S/C19H14Cl2N4O2S/c1-12-9-18(16(21)10-15(12)20)28(26,27)24-14-5-3-13(4-6-14)17-11-25-8-2-7-22-19(25)23-17/h2-11,24H,1H3
InChIKeyRUQDTXCNRAUIEA-UHFFFAOYSA-N
XLogP4.81
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.32
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 6494020
3-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylbenzenesulfonamide
CID 122285699
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide
CID 121028727
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide
CID 121055508
1-(3-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide
CID 122285748
(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 122285710
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122285724
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylthiophene-2-sulfonamide
CID 122285184
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285743
2-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285241
3-chloro-4-fluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285186
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,5-dimethylaniline
CID 121335716

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylbenzenesulfonamide (CID 122285702) is 2,4-dichloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylbenzenesulfonamide?
The InChIKey is RUQDTXCNRAUIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O2S/c1-12-9-18(16(21)10-15(12)20)28(26,27)24-14-5-3-13(4-6-14)17-11-25-8-2-7-22-19(25)23-17/h2-11,24H,1H3.
What are the key properties of 2,4-dichloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylbenzenesulfonamide?
2,4-dichloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylbenzenesulfonamide has a molecular weight of 433.32 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 122285702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).