N-(4-chlorophenyl)-N-methyl-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide

C24H20ClN5O2S — CID 22032442

IUPACN-(4-chlorophenyl)-N-methyl-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide
SMILESCc1[nH]ncc1-c1ccc2ncc(-c3ccc(S(=O)(=O)N(C)c4ccc(Cl)cc4)cc3)n2c1
InChIInChI=1S/C24H20ClN5O2S/c1-16-22(13-27-28-16)18-5-12-24-26-14-23(30(24)15-18)17-3-10-21(11-4-17)33(31,32)29(2)20-8-6-19(25)7-9-20/h3-15H,1-2H3,(H,27,28)
InChIKeyWPQARKIJMKYTHX-UHFFFAOYSA-N
MW477.98 g/mol
LogP5.18
Rot. Bonds5

About N-(4-chlorophenyl)-N-methyl-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide

N-(4-chlorophenyl)-N-methyl-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide (PubChem CID 22032442) has the molecular formula C24H20ClN5O2S and a molecular weight of 477.98 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-methyl-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-methyl-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide
PubChem CID22032442
Molecular FormulaC24H20ClN5O2S
Molecular Weight477.98 g/mol
Exact Mass477.10
IUPAC NameN-(4-chlorophenyl)-N-methyl-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide
SMILESCc1[nH]ncc1-c1ccc2ncc(-c3ccc(S(=O)(=O)N(C)c4ccc(Cl)cc4)cc3)n2c1
InChIInChI=1S/C24H20ClN5O2S/c1-16-22(13-27-28-16)18-5-12-24-26-14-23(30(24)15-18)17-3-10-21(11-4-17)33(31,32)29(2)20-8-6-19(25)7-9-20/h3-15H,1-2H3,(H,27,28)
InChIKeyWPQARKIJMKYTHX-UHFFFAOYSA-N
XLogP5.18
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.98
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-methyl-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-N-methyl-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide (CID 22032442) is N-(4-chlorophenyl)-N-methyl-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-methyl-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-N-methyl-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide is Cc1[nH]ncc1-c1ccc2ncc(-c3ccc(S(=O)(=O)N(C)c4ccc(Cl)cc4)cc3)n2c1.
What is the InChIKey of N-(4-chlorophenyl)-N-methyl-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide?
The InChIKey is WPQARKIJMKYTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O2S/c1-16-22(13-27-28-16)18-5-12-24-26-14-23(30(24)15-18)17-3-10-21(11-4-17)33(31,32)29(2)20-8-6-19(25)7-9-20/h3-15H,1-2H3,(H,27,28).
What are the key properties of N-(4-chlorophenyl)-N-methyl-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide?
N-(4-chlorophenyl)-N-methyl-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide has a molecular weight of 477.98 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-methyl-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide is sourced from PubChem (CID 22032442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).