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

C20H17ClN4O3S — CID 6494020

IUPAC5-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C20H17ClN4O3S/c1-13-10-18(28-2)19(11-16(13)21)29(26,27)24-15-6-4-14(5-7-15)17-12-25-9-3-8-22-20(25)23-17/h3-12,24H,1-2H3
InChIKeyPLGGRJZFJUPUHC-UHFFFAOYSA-N
MW428.90 g/mol
LogP4.17
Rot. Bonds5

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

5-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-4-methylbenzenesulfonamide (PubChem CID 6494020) has the molecular formula C20H17ClN4O3S and a molecular weight of 428.90 g/mol. Its IUPAC name is 5-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-4-methylbenzenesulfonamide
PubChem CID6494020
Molecular FormulaC20H17ClN4O3S
Molecular Weight428.90 g/mol
Exact Mass428.07
IUPAC Name5-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C20H17ClN4O3S/c1-13-10-18(28-2)19(11-16(13)21)29(26,27)24-15-6-4-14(5-7-15)17-12-25-9-3-8-22-20(25)23-17/h3-12,24H,1-2H3
InChIKeyPLGGRJZFJUPUHC-UHFFFAOYSA-N
XLogP4.17
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
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-chloro-4-methoxyphenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)urea
CID 121033137
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 6494240
1-(3-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide
CID 122285748
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 7421295
3,5-difluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)benzenesulfonamide
CID 122285550
1-(3-chloro-4-methoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 121033104
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122285575
(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 122285710

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-4-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-4-methylbenzenesulfonamide (CID 6494020) is 5-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-4-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-4-methylbenzenesulfonamide is COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc(-c2cn3cccnc3n2)cc1.
What is the InChIKey of 5-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-4-methylbenzenesulfonamide?
The InChIKey is PLGGRJZFJUPUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3S/c1-13-10-18(28-2)19(11-16(13)21)29(26,27)24-15-6-4-14(5-7-15)17-12-25-9-3-8-22-20(25)23-17/h3-12,24H,1-2H3.
What are the key properties of 5-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-4-methylbenzenesulfonamide?
5-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-4-methylbenzenesulfonamide has a molecular weight of 428.90 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 6494020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).