N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide

C13H17N3O4S2 — CID 3159782

IUPACN-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide
SMILESCCOCCc1nnc(NS(=O)(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C13H17N3O4S2/c1-3-20-9-8-12-14-15-13(21-12)16-22(17,18)11-6-4-10(19-2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyOXMLWYFINCMVDB-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.93
Rot. Bonds8

About N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide

N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide (PubChem CID 3159782) has the molecular formula C13H17N3O4S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide
PubChem CID3159782
Molecular FormulaC13H17N3O4S2
Molecular Weight343.43 g/mol
Exact Mass343.07
IUPAC NameN-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide
SMILESCCOCCc1nnc(NS(=O)(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C13H17N3O4S2/c1-3-20-9-8-12-14-15-13(21-12)16-22(17,18)11-6-4-10(19-2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyOXMLWYFINCMVDB-UHFFFAOYSA-N
XLogP1.93
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide (CID 3159782) is N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide is CCOCCc1nnc(NS(=O)(=O)c2ccc(OC)cc2)s1.
What is the InChIKey of N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide?
The InChIKey is OXMLWYFINCMVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S2/c1-3-20-9-8-12-14-15-13(21-12)16-22(17,18)11-6-4-10(19-2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide?
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide has a molecular weight of 343.43 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 3159782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).