N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,4,6-trimethylbenzenesulfonamide

C16H24N4O2S — CID 15943552

IUPACN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1
InChIInChI=1S/C16H24N4O2S/c1-10-7-11(2)16(12(3)8-10)23(21,22)17-9-13(4)20-15(6)18-14(5)19-20/h7-8,13,17H,9H2,1-6H3
InChIKeyAWBVHJNYKXVMAC-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.36
Rot. Bonds5

About N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,4,6-trimethylbenzenesulfonamide

N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 15943552) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID15943552
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1
InChIInChI=1S/C16H24N4O2S/c1-10-7-11(2)16(12(3)8-10)23(21,22)17-9-13(4)20-15(6)18-14(5)19-20/h7-8,13,17H,9H2,1-6H3
InChIKeyAWBVHJNYKXVMAC-UHFFFAOYSA-N
XLogP2.36
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,4,6-trimethylbenzenesulfonamide (CID 15943552) is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCC(C)n2nc(C)nc2C)c(C)c1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is AWBVHJNYKXVMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-10-7-11(2)16(12(3)8-10)23(21,22)17-9-13(4)20-15(6)18-14(5)19-20/h7-8,13,17H,9H2,1-6H3.
What are the key properties of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,4,6-trimethylbenzenesulfonamide?
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 336.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 15943552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).