N-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C13H11Cl2N5O2S — CID 630725

IUPACN-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(C)n2nc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)nc2n1
InChIInChI=1S/C13H11Cl2N5O2S/c1-7-5-8(2)20-12(16-7)17-13(18-20)23(21,22)19-11-4-3-9(14)6-10(11)15/h3-6,19H,1-2H3
InChIKeyALQZQWQUEINUQC-UHFFFAOYSA-N
MW372.24 g/mol
LogP2.85
Rot. Bonds3

About N-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

N-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 630725) has the molecular formula C13H11Cl2N5O2S and a molecular weight of 372.24 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID630725
Molecular FormulaC13H11Cl2N5O2S
Molecular Weight372.24 g/mol
Exact Mass371.00
IUPAC NameN-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(C)n2nc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)nc2n1
InChIInChI=1S/C13H11Cl2N5O2S/c1-7-5-8(2)20-12(16-7)17-13(18-20)23(21,22)19-11-4-3-9(14)6-10(11)15/h3-6,19H,1-2H3
InChIKeyALQZQWQUEINUQC-UHFFFAOYSA-N
XLogP2.85
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 630725) is N-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is Cc1cc(C)n2nc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)nc2n1.
What is the InChIKey of N-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is ALQZQWQUEINUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N5O2S/c1-7-5-8(2)20-12(16-7)17-13(18-20)23(21,22)19-11-4-3-9(14)6-10(11)15/h3-6,19H,1-2H3.
What are the key properties of N-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 372.24 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 630725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).