N-(2-chloro-5-methoxyphenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine-2-carboxamide

C15H10ClF3N4O4S — CID 56952251

IUPACN-(2-chloro-5-methoxyphenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn3cc(C(F)(F)F)ncc3n2)c1
InChIInChI=1S/C15H10ClF3N4O4S/c1-27-8-2-3-9(16)11(4-8)28(25,26)22-14(24)10-6-23-7-12(15(17,18)19)20-5-13(23)21-10/h2-7H,1H3,(H,22,24)
InChIKeyXBCJBTXNNHGNMI-UHFFFAOYSA-N
MW434.78 g/mol
LogP2.53
Rot. Bonds4

About N-(2-chloro-5-methoxyphenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine-2-carboxamide

N-(2-chloro-5-methoxyphenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 56952251) has the molecular formula C15H10ClF3N4O4S and a molecular weight of 434.78 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID56952251
Molecular FormulaC15H10ClF3N4O4S
Molecular Weight434.78 g/mol
Exact Mass434.01
IUPAC NameN-(2-chloro-5-methoxyphenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine-2-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn3cc(C(F)(F)F)ncc3n2)c1
InChIInChI=1S/C15H10ClF3N4O4S/c1-27-8-2-3-9(16)11(4-8)28(25,26)22-14(24)10-6-23-7-12(15(17,18)19)20-5-13(23)21-10/h2-7H,1H3,(H,22,24)
InChIKeyXBCJBTXNNHGNMI-UHFFFAOYSA-N
XLogP2.53
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.78
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine-2-carboxamide (CID 56952251) is N-(2-chloro-5-methoxyphenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine-2-carboxamide is COc1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn3cc(C(F)(F)F)ncc3n2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is XBCJBTXNNHGNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O4S/c1-27-8-2-3-9(16)11(4-8)28(25,26)22-14(24)10-6-23-7-12(15(17,18)19)20-5-13(23)21-10/h2-7H,1H3,(H,22,24).
What are the key properties of N-(2-chloro-5-methoxyphenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine-2-carboxamide?
N-(2-chloro-5-methoxyphenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 434.78 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 56952251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).