N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C17H16N6O2S — CID 122285205

IUPACN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(-c2cn3cccnc3n2)c1
InChIInChI=1S/C17H16N6O2S/c1-11-16(12(2)21-20-11)26(24,25)22-14-6-3-5-13(9-14)15-10-23-8-4-7-18-17(23)19-15/h3-10,22H,1-2H3,(H,20,21)
InChIKeyJMDHGSJKAZOOEY-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.54
Rot. Bonds4

About N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 122285205) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID122285205
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(-c2cn3cccnc3n2)c1
InChIInChI=1S/C17H16N6O2S/c1-11-16(12(2)21-20-11)26(24,25)22-14-6-3-5-13(9-14)15-10-23-8-4-7-18-17(23)19-15/h3-10,22H,1-2H3,(H,20,21)
InChIKeyJMDHGSJKAZOOEY-UHFFFAOYSA-N
XLogP2.54
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-difluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285192
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylthiophene-2-sulfonamide
CID 122285184
2-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285241
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-nitrobenzenesulfonamide
CID 2981233
3-chloro-4-fluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285186
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 121024186
3,5-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 8002125
3,5-dimethyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 122284562
1-(2-fluorophenyl)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide
CID 122285217
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(3-methylphenyl)acetamide
CID 7080185
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 122285165
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122285119

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 122285205) is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(-c2cn3cccnc3n2)c1.
What is the InChIKey of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is JMDHGSJKAZOOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S/c1-11-16(12(2)21-20-11)26(24,25)22-14-6-3-5-13(9-14)15-10-23-8-4-7-18-17(23)19-15/h3-10,22H,1-2H3,(H,20,21).
What are the key properties of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 368.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 122285205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).