N-(2-chlorophenyl)sulfonyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C12H10ClN3O4S — CID 167983166

IUPACN-(2-chlorophenyl)sulfonyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1Cl)c1cc2n(n1)CCO2
InChIInChI=1S/C12H10ClN3O4S/c13-8-3-1-2-4-10(8)21(18,19)15-12(17)9-7-11-16(14-9)5-6-20-11/h1-4,7H,5-6H2,(H,15,17)
InChIKeyRRALVSYEMOLBCB-UHFFFAOYSA-N
MW327.75 g/mol
LogP1.05
Rot. Bonds3

About N-(2-chlorophenyl)sulfonyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

N-(2-chlorophenyl)sulfonyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 167983166) has the molecular formula C12H10ClN3O4S and a molecular weight of 327.75 g/mol. Its IUPAC name is N-(2-chlorophenyl)sulfonyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)sulfonyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID167983166
Molecular FormulaC12H10ClN3O4S
Molecular Weight327.75 g/mol
Exact Mass327.01
IUPAC NameN-(2-chlorophenyl)sulfonyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1Cl)c1cc2n(n1)CCO2
InChIInChI=1S/C12H10ClN3O4S/c13-8-3-1-2-4-10(8)21(18,19)15-12(17)9-7-11-16(14-9)5-6-20-11/h1-4,7H,5-6H2,(H,15,17)
InChIKeyRRALVSYEMOLBCB-UHFFFAOYSA-N
XLogP1.05
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.75
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)sulfonyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of N-(2-chlorophenyl)sulfonyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 167983166) is N-(2-chlorophenyl)sulfonyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)sulfonyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)sulfonyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is O=C(NS(=O)(=O)c1ccccc1Cl)c1cc2n(n1)CCO2.
What is the InChIKey of N-(2-chlorophenyl)sulfonyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is RRALVSYEMOLBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O4S/c13-8-3-1-2-4-10(8)21(18,19)15-12(17)9-7-11-16(14-9)5-6-20-11/h1-4,7H,5-6H2,(H,15,17).
What are the key properties of N-(2-chlorophenyl)sulfonyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
N-(2-chlorophenyl)sulfonyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 327.75 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)sulfonyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 167983166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).