N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

C14H13Cl2N5O4S — CID 15003660

IUPACN-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
SMILESCOc1cc2nc(S(=O)(=O)Nc3c(Cl)ccc(C)c3Cl)nn2c(OC)n1
InChIInChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)13-17-9-6-10(24-2)18-14(25-3)21(9)19-13/h4-6,20H,1-3H3
InChIKeyYCAVTTFYAOQYCZ-UHFFFAOYSA-N
MW418.26 g/mol
LogP2.56
Rot. Bonds5

About N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (PubChem CID 15003660) has the molecular formula C14H13Cl2N5O4S and a molecular weight of 418.26 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
PubChem CID15003660
Molecular FormulaC14H13Cl2N5O4S
Molecular Weight418.26 g/mol
Exact Mass417.01
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
SMILESCOc1cc2nc(S(=O)(=O)Nc3c(Cl)ccc(C)c3Cl)nn2c(OC)n1
InChIInChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)13-17-9-6-10(24-2)18-14(25-3)21(9)19-13/h4-6,20H,1-3H3
InChIKeyYCAVTTFYAOQYCZ-UHFFFAOYSA-N
XLogP2.56
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (CID 15003660) is N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is COc1cc2nc(S(=O)(=O)Nc3c(Cl)ccc(C)c3Cl)nn2c(OC)n1.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The InChIKey is YCAVTTFYAOQYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)13-17-9-6-10(24-2)18-14(25-3)21(9)19-13/h4-6,20H,1-3H3.
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide has a molecular weight of 418.26 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is sourced from PubChem (CID 15003660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).