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

C14H13Cl2N5O2S — CID 14155157

IUPACN-(2,6-dichloro-3-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(C)n2nc(S(=O)(=O)Nc3c(Cl)ccc(C)c3Cl)nc2n1
InChIInChI=1S/C14H13Cl2N5O2S/c1-7-4-5-10(15)12(11(7)16)20-24(22,23)14-18-13-17-8(2)6-9(3)21(13)19-14/h4-6,20H,1-3H3
InChIKeyJETRBEJLGYVPPW-UHFFFAOYSA-N
MW386.26 g/mol
LogP3.16
Rot. Bonds3

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

N-(2,6-dichloro-3-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 14155157) has the molecular formula C14H13Cl2N5O2S and a molecular weight of 386.26 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID14155157
Molecular FormulaC14H13Cl2N5O2S
Molecular Weight386.26 g/mol
Exact Mass385.02
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(C)n2nc(S(=O)(=O)Nc3c(Cl)ccc(C)c3Cl)nc2n1
InChIInChI=1S/C14H13Cl2N5O2S/c1-7-4-5-10(15)12(11(7)16)20-24(22,23)14-18-13-17-8(2)6-9(3)21(13)19-14/h4-6,20H,1-3H3
InChIKeyJETRBEJLGYVPPW-UHFFFAOYSA-N
XLogP3.16
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 14155157) is N-(2,6-dichloro-3-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is Cc1cc(C)n2nc(S(=O)(=O)Nc3c(Cl)ccc(C)c3Cl)nc2n1.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is JETRBEJLGYVPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N5O2S/c1-7-4-5-10(15)12(11(7)16)20-24(22,23)14-18-13-17-8(2)6-9(3)21(13)19-14/h4-6,20H,1-3H3.
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N-(2,6-dichloro-3-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 386.26 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 14155157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).