N-(2,1,3-benzothiadiazol-4-yl)-2,4,6-trimethylbenzenesulfonamide

C15H15N3O2S2 — CID 3244325

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc3nsnc23)c(C)c1
InChIInChI=1S/C15H15N3O2S2/c1-9-7-10(2)15(11(3)8-9)22(19,20)18-13-6-4-5-12-14(13)17-21-16-12/h4-8,18H,1-3H3
InChIKeyOZYYEJKEHJDVKI-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.42
Rot. Bonds3

About N-(2,1,3-benzothiadiazol-4-yl)-2,4,6-trimethylbenzenesulfonamide

N-(2,1,3-benzothiadiazol-4-yl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 3244325) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID3244325
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc3nsnc23)c(C)c1
InChIInChI=1S/C15H15N3O2S2/c1-9-7-10(2)15(11(3)8-9)22(19,20)18-13-6-4-5-12-14(13)17-21-16-12/h4-8,18H,1-3H3
InChIKeyOZYYEJKEHJDVKI-UHFFFAOYSA-N
XLogP3.42
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2,4,6-trimethylbenzenesulfonamide (CID 3244325) is N-(2,1,3-benzothiadiazol-4-yl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cccc3nsnc23)c(C)c1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is OZYYEJKEHJDVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-9-7-10(2)15(11(3)8-9)22(19,20)18-13-6-4-5-12-14(13)17-21-16-12/h4-8,18H,1-3H3.
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2,4,6-trimethylbenzenesulfonamide?
N-(2,1,3-benzothiadiazol-4-yl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 333.44 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 3244325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).