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

C22H16Cl3F3N4O3S — CID 90955534

IUPACN-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)N(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H16Cl3F3N4O3S/c1-11-19(21(33)31(2)36(34,35)14-6-4-13(23)5-7-14)20(12-3-8-15(24)16(25)9-12)32-18(29-11)10-17(30-32)22(26,27)28/h3-10,19-20H,1-2H3
InChIKeyUJLLHTKGNSNOIB-UHFFFAOYSA-N
MW579.82 g/mol
LogP6.02
Rot. Bonds4

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

N-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 90955534) has the molecular formula C22H16Cl3F3N4O3S and a molecular weight of 579.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID90955534
Molecular FormulaC22H16Cl3F3N4O3S
Molecular Weight579.82 g/mol
Exact Mass578.00
IUPAC NameN-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)N(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H16Cl3F3N4O3S/c1-11-19(21(33)31(2)36(34,35)14-6-4-13(23)5-7-14)20(12-3-8-15(24)16(25)9-12)32-18(29-11)10-17(30-32)22(26,27)28/h3-10,19-20H,1-2H3
InChIKeyUJLLHTKGNSNOIB-UHFFFAOYSA-N
XLogP6.02
TPSA84.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.82
LogP ≤ 56.02
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,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 90955534) is N-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-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,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=Nc2cc(C(F)(F)F)nn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)N(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is UJLLHTKGNSNOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3F3N4O3S/c1-11-19(21(33)31(2)36(34,35)14-6-4-13(23)5-7-14)20(12-3-8-15(24)16(25)9-12)32-18(29-11)10-17(30-32)22(26,27)28/h3-10,19-20H,1-2H3.
What are the key properties of N-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(4-chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-N,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 579.82 g/mol, XLogP of 6.02, 4 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,5-dimethyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 90955534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).