N-[[4-[(4-chlorophenyl)-(4-fluorophenyl)sulfamoyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide

C26H19ClFN5O3S — CID 140673128

IUPACN-[[4-[(4-chlorophenyl)-(4-fluorophenyl)sulfamoyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N(c2ccc(F)cc2)c2ccc(Cl)cc2)cc1)c1cnc2ncccn12
InChIInChI=1S/C26H19ClFN5O3S/c27-19-4-8-21(9-5-19)33(22-10-6-20(28)7-11-22)37(35,36)23-12-2-18(3-13-23)16-30-25(34)24-17-31-26-29-14-1-15-32(24)26/h1-15,17H,16H2,(H,30,34)
InChIKeyYMRSTFKDMMSFED-UHFFFAOYSA-N
MW535.99 g/mol
LogP4.98
Rot. Bonds7

About N-[[4-[(4-chlorophenyl)-(4-fluorophenyl)sulfamoyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide

N-[[4-[(4-chlorophenyl)-(4-fluorophenyl)sulfamoyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 140673128) has the molecular formula C26H19ClFN5O3S and a molecular weight of 535.99 g/mol. Its IUPAC name is N-[[4-[(4-chlorophenyl)-(4-fluorophenyl)sulfamoyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-chlorophenyl)-(4-fluorophenyl)sulfamoyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID140673128
Molecular FormulaC26H19ClFN5O3S
Molecular Weight535.99 g/mol
Exact Mass535.09
IUPAC NameN-[[4-[(4-chlorophenyl)-(4-fluorophenyl)sulfamoyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N(c2ccc(F)cc2)c2ccc(Cl)cc2)cc1)c1cnc2ncccn12
InChIInChI=1S/C26H19ClFN5O3S/c27-19-4-8-21(9-5-19)33(22-10-6-20(28)7-11-22)37(35,36)23-12-2-18(3-13-23)16-30-25(34)24-17-31-26-29-14-1-15-32(24)26/h1-15,17H,16H2,(H,30,34)
InChIKeyYMRSTFKDMMSFED-UHFFFAOYSA-N
XLogP4.98
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.99
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chlorophenyl)-(4-fluorophenyl)sulfamoyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[[4-[(4-chlorophenyl)-(4-fluorophenyl)sulfamoyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide (CID 140673128) is N-[[4-[(4-chlorophenyl)-(4-fluorophenyl)sulfamoyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[[4-[(4-chlorophenyl)-(4-fluorophenyl)sulfamoyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[[4-[(4-chlorophenyl)-(4-fluorophenyl)sulfamoyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide is O=C(NCc1ccc(S(=O)(=O)N(c2ccc(F)cc2)c2ccc(Cl)cc2)cc1)c1cnc2ncccn12.
What is the InChIKey of N-[[4-[(4-chlorophenyl)-(4-fluorophenyl)sulfamoyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is YMRSTFKDMMSFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClFN5O3S/c27-19-4-8-21(9-5-19)33(22-10-6-20(28)7-11-22)37(35,36)23-12-2-18(3-13-23)16-30-25(34)24-17-31-26-29-14-1-15-32(24)26/h1-15,17H,16H2,(H,30,34).
What are the key properties of N-[[4-[(4-chlorophenyl)-(4-fluorophenyl)sulfamoyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?
N-[[4-[(4-chlorophenyl)-(4-fluorophenyl)sulfamoyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 535.99 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-chlorophenyl)-(4-fluorophenyl)sulfamoyl]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140673128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).