N-[[4-(5-chloro-2-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

C44H34ClF3N6O8S2 — CID 90012903

IUPACN-[[4-(5-chloro-2-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4nccn4c3)cc2)c(C(F)(F)F)c1.Cc1ccc(Cl)cc1S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1
InChIInChI=1S/C22H17ClN2O4S.C22H17F3N4O4S/c1-14-2-5-17(23)11-21(14)30(27,28)18-6-3-15(4-7-18)12-25-22(26)19-10-16-8-9-24-13-20(16)29-19;1-33-16-4-7-19(18(10-16)22(23,24)25)34(31,32)17-5-2-14(3-6-17)11-27-20(30)15-12-28-21-26-8-9-29(21)13-15/h2-11,13H,12H2,1H3,(H,25,26);2-10,12-13H,11H2,1H3,(H,27,30)
InChIKeyPZGTWCHRYNYVCQ-UHFFFAOYSA-N
MW931.37 g/mol
LogP8.07
Rot. Bonds11

About N-[[4-(5-chloro-2-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

N-[[4-(5-chloro-2-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 90012903) has the molecular formula C44H34ClF3N6O8S2 and a molecular weight of 931.37 g/mol. Its IUPAC name is N-[[4-(5-chloro-2-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(5-chloro-2-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID90012903
Molecular FormulaC44H34ClF3N6O8S2
Molecular Weight931.37 g/mol
Exact Mass930.15
IUPAC NameN-[[4-(5-chloro-2-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4nccn4c3)cc2)c(C(F)(F)F)c1.Cc1ccc(Cl)cc1S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1
InChIInChI=1S/C22H17ClN2O4S.C22H17F3N4O4S/c1-14-2-5-17(23)11-21(14)30(27,28)18-6-3-15(4-7-18)12-25-22(26)19-10-16-8-9-24-13-20(16)29-19;1-33-16-4-7-19(18(10-16)22(23,24)25)34(31,32)17-5-2-14(3-6-17)11-27-20(30)15-12-28-21-26-8-9-29(21)13-15/h2-11,13H,12H2,1H3,(H,25,26);2-10,12-13H,11H2,1H3,(H,27,30)
InChIKeyPZGTWCHRYNYVCQ-UHFFFAOYSA-N
XLogP8.07
TPSA191.93 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500931.37
LogP ≤ 58.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[[4-(5-chloro-2-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-chloro-2-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[[4-(5-chloro-2-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (CID 90012903) is N-[[4-(5-chloro-2-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[4-(5-chloro-2-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[4-(5-chloro-2-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is COc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4nccn4c3)cc2)c(C(F)(F)F)c1.Cc1ccc(Cl)cc1S(=O)(=O)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1.
What is the InChIKey of N-[[4-(5-chloro-2-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is PZGTWCHRYNYVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O4S.C22H17F3N4O4S/c1-14-2-5-17(23)11-21(14)30(27,28)18-6-3-15(4-7-18)12-25-22(26)19-10-16-8-9-24-13-20(16)29-19;1-33-16-4-7-19(18(10-16)22(23,24)25)34(31,32)17-5-2-14(3-6-17)11-27-20(30)15-12-28-21-26-8-9-29(21)13-15/h2-11,13H,12H2,1H3,(H,25,26);2-10,12-13H,11H2,1H3,(H,27,30).
What are the key properties of N-[[4-(5-chloro-2-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
N-[[4-(5-chloro-2-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 931.37 g/mol, XLogP of 8.07, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-chloro-2-methylphenyl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 90012903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).