2,4,6-trimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide

C18H20N4O2S — CID 43069543

IUPAC2,4,6-trimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(-c3nncn3C)cc2)c(C)c1
InChIInChI=1S/C18H20N4O2S/c1-12-9-13(2)17(14(3)10-12)25(23,24)21-16-7-5-15(6-8-16)18-20-19-11-22(18)4/h5-11,21H,1-4H3
InChIKeyRNZRKTUVZNFXGX-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.21
Rot. Bonds4

About 2,4,6-trimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide

2,4,6-trimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide (PubChem CID 43069543) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
PubChem CID43069543
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2,4,6-trimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(-c3nncn3C)cc2)c(C)c1
InChIInChI=1S/C18H20N4O2S/c1-12-9-13(2)17(14(3)10-12)25(23,24)21-16-7-5-15(6-8-16)18-20-19-11-22(18)4/h5-11,21H,1-4H3
InChIKeyRNZRKTUVZNFXGX-UHFFFAOYSA-N
XLogP3.21
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide (CID 43069543) is 2,4,6-trimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3nncn3C)cc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
The InChIKey is RNZRKTUVZNFXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-12-9-13(2)17(14(3)10-12)25(23,24)21-16-7-5-15(6-8-16)18-20-19-11-22(18)4/h5-11,21H,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide?
2,4,6-trimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 43069543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).