2-[(2-amino-2-oxoethyl)sulfamoyl]-6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H24Cl2N6O4S — CID 67272029

IUPAC2-[(2-amino-2-oxoethyl)sulfamoyl]-6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)CNS(=O)(=O)c1nn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)cnc2c1C(=O)NC1CCCC1
InChIInChI=1S/C26H24Cl2N6O4S/c27-16-11-9-15(10-12-16)23-19(18-7-3-4-8-20(18)28)13-30-24-22(25(36)32-17-5-1-2-6-17)26(33-34(23)24)39(37,38)31-14-21(29)35/h3-4,7-13,17,31H,1-2,5-6,14H2,(H2,29,35)(H,32,36)
InChIKeyXUKGKEPVXJSMGH-UHFFFAOYSA-N
MW587.49 g/mol
LogP3.81
Rot. Bonds8

About 2-[(2-amino-2-oxoethyl)sulfamoyl]-6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentylpyrazolo[1,5-a]pyrimidine-3-carboxamide

2-[(2-amino-2-oxoethyl)sulfamoyl]-6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67272029) has the molecular formula C26H24Cl2N6O4S and a molecular weight of 587.49 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)sulfamoyl]-6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)sulfamoyl]-6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67272029
Molecular FormulaC26H24Cl2N6O4S
Molecular Weight587.49 g/mol
Exact Mass586.10
IUPAC Name2-[(2-amino-2-oxoethyl)sulfamoyl]-6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)CNS(=O)(=O)c1nn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)cnc2c1C(=O)NC1CCCC1
InChIInChI=1S/C26H24Cl2N6O4S/c27-16-11-9-15(10-12-16)23-19(18-7-3-4-8-20(18)28)13-30-24-22(25(36)32-17-5-1-2-6-17)26(33-34(23)24)39(37,38)31-14-21(29)35/h3-4,7-13,17,31H,1-2,5-6,14H2,(H2,29,35)(H,32,36)
InChIKeyXUKGKEPVXJSMGH-UHFFFAOYSA-N
XLogP3.81
TPSA148.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.49
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)sulfamoyl]-6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)sulfamoyl]-6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67272029) is 2-[(2-amino-2-oxoethyl)sulfamoyl]-6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)sulfamoyl]-6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)sulfamoyl]-6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentylpyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)CNS(=O)(=O)c1nn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)cnc2c1C(=O)NC1CCCC1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)sulfamoyl]-6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XUKGKEPVXJSMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N6O4S/c27-16-11-9-15(10-12-16)23-19(18-7-3-4-8-20(18)28)13-30-24-22(25(36)32-17-5-1-2-6-17)26(33-34(23)24)39(37,38)31-14-21(29)35/h3-4,7-13,17,31H,1-2,5-6,14H2,(H2,29,35)(H,32,36).
What are the key properties of 2-[(2-amino-2-oxoethyl)sulfamoyl]-6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-[(2-amino-2-oxoethyl)sulfamoyl]-6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 587.49 g/mol, XLogP of 3.81, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)sulfamoyl]-6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67272029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).