N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide

C20H18N4O2S — CID 121028727

IUPACN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c(C)c1
InChIInChI=1S/C20H18N4O2S/c1-14-4-9-19(15(2)12-14)27(25,26)23-17-7-5-16(6-8-17)18-13-24-11-3-10-21-20(24)22-18/h3-13,23H,1-2H3
InChIKeyRFUGVGRYOVUWBL-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.81
Rot. Bonds4

About N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide

N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide (PubChem CID 121028727) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide
PubChem CID121028727
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c(C)c1
InChIInChI=1S/C20H18N4O2S/c1-14-4-9-19(15(2)12-14)27(25,26)23-17-7-5-16(6-8-17)18-13-24-11-3-10-21-20(24)22-18/h3-13,23H,1-2H3
InChIKeyRFUGVGRYOVUWBL-UHFFFAOYSA-N
XLogP3.81
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylbenzenesulfonamide
CID 122285702
3-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylbenzenesulfonamide
CID 122285699
5-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 6494020
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzamide
CID 121033061
(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)-2,5-dimethylaniline
CID 121335716
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide
CID 121055508
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122285724
2,4-dimethyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16806793
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

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide (CID 121028727) is N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c(C)c1.
What is the InChIKey of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is RFUGVGRYOVUWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-14-4-9-19(15(2)12-14)27(25,26)23-17-7-5-16(6-8-17)18-13-24-11-3-10-21-20(24)22-18/h3-13,23H,1-2H3.
What are the key properties of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide?
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 378.46 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 121028727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).