N-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N-ethyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C23H18Cl3F3N4O3S — CID 90952428

IUPACN-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N-ethyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCN(C(=O)C1C(C)=Nc2cc(C(F)(F)F)nn2C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H18Cl3F3N4O3S/c1-3-32(37(35,36)15-7-5-14(24)6-8-15)22(34)20-12(2)30-19-11-18(23(27,28)29)31-33(19)21(20)13-4-9-16(25)17(26)10-13/h4-11,20-21H,3H2,1-2H3
InChIKeyGFRUMUVATGWBJO-UHFFFAOYSA-N
MW593.84 g/mol
LogP6.41
Rot. Bonds5

About N-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N-ethyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

N-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N-ethyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 90952428) has the molecular formula C23H18Cl3F3N4O3S and a molecular weight of 593.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N-ethyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N-ethyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID90952428
Molecular FormulaC23H18Cl3F3N4O3S
Molecular Weight593.84 g/mol
Exact Mass592.01
IUPAC NameN-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N-ethyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCN(C(=O)C1C(C)=Nc2cc(C(F)(F)F)nn2C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H18Cl3F3N4O3S/c1-3-32(37(35,36)15-7-5-14(24)6-8-15)22(34)20-12(2)30-19-11-18(23(27,28)29)31-33(19)21(20)13-4-9-16(25)17(26)10-13/h4-11,20-21H,3H2,1-2H3
InChIKeyGFRUMUVATGWBJO-UHFFFAOYSA-N
XLogP6.41
TPSA84.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.84
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N-ethyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N-ethyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 90952428) is N-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N-ethyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N-ethyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N-ethyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CCN(C(=O)C1C(C)=Nc2cc(C(F)(F)F)nn2C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N-ethyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is GFRUMUVATGWBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl3F3N4O3S/c1-3-32(37(35,36)15-7-5-14(24)6-8-15)22(34)20-12(2)30-19-11-18(23(27,28)29)31-33(19)21(20)13-4-9-16(25)17(26)10-13/h4-11,20-21H,3H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N-ethyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N-ethyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 593.84 g/mol, XLogP of 6.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N-ethyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 90952428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).