N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-2-(methoxymethyl)benzenesulfonamide

C13H17N3O4S2 — CID 126830420

IUPACN-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-2-(methoxymethyl)benzenesulfonamide
SMILESCOCc1ccccc1S(=O)(=O)Nc1nc(C(C)OC)ns1
InChIInChI=1S/C13H17N3O4S2/c1-9(20-3)12-14-13(21-15-12)16-22(17,18)11-7-5-4-6-10(11)8-19-2/h4-7,9H,8H2,1-3H3,(H,14,15,16)
InChIKeyVKSADKNJZBQMIQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.19
Rot. Bonds7

About N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-2-(methoxymethyl)benzenesulfonamide

N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-2-(methoxymethyl)benzenesulfonamide (PubChem CID 126830420) has the molecular formula C13H17N3O4S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-2-(methoxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-2-(methoxymethyl)benzenesulfonamide
PubChem CID126830420
Molecular FormulaC13H17N3O4S2
Molecular Weight343.43 g/mol
Exact Mass343.07
IUPAC NameN-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-2-(methoxymethyl)benzenesulfonamide
SMILESCOCc1ccccc1S(=O)(=O)Nc1nc(C(C)OC)ns1
InChIInChI=1S/C13H17N3O4S2/c1-9(20-3)12-14-13(21-15-12)16-22(17,18)11-7-5-4-6-10(11)8-19-2/h4-7,9H,8H2,1-3H3,(H,14,15,16)
InChIKeyVKSADKNJZBQMIQ-UHFFFAOYSA-N
XLogP2.19
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-2-(methoxymethyl)benzenesulfonamide?
The IUPAC name of N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-2-(methoxymethyl)benzenesulfonamide (CID 126830420) is N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-2-(methoxymethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-2-(methoxymethyl)benzenesulfonamide?
The canonical SMILES for N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-2-(methoxymethyl)benzenesulfonamide is COCc1ccccc1S(=O)(=O)Nc1nc(C(C)OC)ns1.
What is the InChIKey of N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-2-(methoxymethyl)benzenesulfonamide?
The InChIKey is VKSADKNJZBQMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S2/c1-9(20-3)12-14-13(21-15-12)16-22(17,18)11-7-5-4-6-10(11)8-19-2/h4-7,9H,8H2,1-3H3,(H,14,15,16).
What are the key properties of N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-2-(methoxymethyl)benzenesulfonamide?
N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-2-(methoxymethyl)benzenesulfonamide has a molecular weight of 343.43 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]-2-(methoxymethyl)benzenesulfonamide is sourced from PubChem (CID 126830420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).