4-[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]benzenesulfonamide

C13H17N3O3S4 — CID 17418416

IUPAC4-[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]benzenesulfonamide
SMILESCCCSc1nnc(SCCOc2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C13H17N3O3S4/c1-2-8-20-12-15-16-13(22-12)21-9-7-19-10-3-5-11(6-4-10)23(14,17)18/h3-6H,2,7-9H2,1H3,(H2,14,17,18)
InChIKeyURXYBAYGMNUJJP-UHFFFAOYSA-N
MW391.57 g/mol
LogP2.86
Rot. Bonds9

About 4-[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]benzenesulfonamide

4-[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]benzenesulfonamide (PubChem CID 17418416) has the molecular formula C13H17N3O3S4 and a molecular weight of 391.57 g/mol. Its IUPAC name is 4-[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]benzenesulfonamide
PubChem CID17418416
Molecular FormulaC13H17N3O3S4
Molecular Weight391.57 g/mol
Exact Mass391.02
IUPAC Name4-[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]benzenesulfonamide
SMILESCCCSc1nnc(SCCOc2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C13H17N3O3S4/c1-2-8-20-12-15-16-13(22-12)21-9-7-19-10-3-5-11(6-4-10)23(14,17)18/h3-6H,2,7-9H2,1H3,(H2,14,17,18)
InChIKeyURXYBAYGMNUJJP-UHFFFAOYSA-N
XLogP2.86
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.57
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide
CID 61468859
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-methyl-1,3,4-thiadiazole
CID 47096285
4-(4-propoxyphenoxy)benzenesulfonamide
CID 43342703
4-[(4-butoxyphenyl)diazenyl]benzenesulfonamide
CID 3089332
4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide
CID 8575473
2-[4-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]phenyl]ethanamine
CID 115383238
4-[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenesulfonamide
CID 17418415
4-(4-methylphenoxy)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 19218778
ethyl N-[5-[2-(4-morpholin-4-ylsulfonylphenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-yl]carbamate
CID 55602471
4-methylsulfonyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 100574277
5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 3321673
4-[2-(dimethylamino)ethoxy]benzenesulfonamide
CID 22244704

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]benzenesulfonamide?
The IUPAC name of 4-[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]benzenesulfonamide (CID 17418416) is 4-[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]benzenesulfonamide is CCCSc1nnc(SCCOc2ccc(S(N)(=O)=O)cc2)s1.
What is the InChIKey of 4-[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]benzenesulfonamide?
The InChIKey is URXYBAYGMNUJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S4/c1-2-8-20-12-15-16-13(22-12)21-9-7-19-10-3-5-11(6-4-10)23(14,17)18/h3-6H,2,7-9H2,1H3,(H2,14,17,18).
What are the key properties of 4-[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]benzenesulfonamide?
4-[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]benzenesulfonamide has a molecular weight of 391.57 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]benzenesulfonamide is sourced from PubChem (CID 17418416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).