2,3,4,5,6-pentamethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide

C20H24N4O2S2 — CID 18133365

IUPAC2,3,4,5,6-pentamethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2ccccc2Sc2nncn2C)c(C)c1C
InChIInChI=1S/C20H24N4O2S2/c1-12-13(2)15(4)19(16(5)14(12)3)28(25,26)23-17-9-7-8-10-18(17)27-20-22-21-11-24(20)6/h7-11,23H,1-6H3
InChIKeyQUABYEUHMPLXTJ-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.31
Rot. Bonds5

About 2,3,4,5,6-pentamethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide

2,3,4,5,6-pentamethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide (PubChem CID 18133365) has the molecular formula C20H24N4O2S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide
PubChem CID18133365
Molecular FormulaC20H24N4O2S2
Molecular Weight416.57 g/mol
Exact Mass416.13
IUPAC Name2,3,4,5,6-pentamethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2ccccc2Sc2nncn2C)c(C)c1C
InChIInChI=1S/C20H24N4O2S2/c1-12-13(2)15(4)19(16(5)14(12)3)28(25,26)23-17-9-7-8-10-18(17)27-20-22-21-11-24(20)6/h7-11,23H,1-6H3
InChIKeyQUABYEUHMPLXTJ-UHFFFAOYSA-N
XLogP4.31
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,3,4,5,6-pentamethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentamethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide (CID 18133365) is 2,3,4,5,6-pentamethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentamethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)Nc2ccccc2Sc2nncn2C)c(C)c1C.
What is the InChIKey of 2,3,4,5,6-pentamethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide?
The InChIKey is QUABYEUHMPLXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S2/c1-12-13(2)15(4)19(16(5)14(12)3)28(25,26)23-17-9-7-8-10-18(17)27-20-22-21-11-24(20)6/h7-11,23H,1-6H3.
What are the key properties of 2,3,4,5,6-pentamethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide?
2,3,4,5,6-pentamethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide has a molecular weight of 416.57 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 18133365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).