N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

C15H13N3O2S3 — CID 99587722

IUPACN-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(SCc2ccccc2)s1)c1ccccc1
InChIInChI=1S/C15H13N3O2S3/c19-23(20,13-9-5-2-6-10-13)18-14-16-17-15(22-14)21-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,16,18)
InChIKeyQDLHHLUMDQDZDV-UHFFFAOYSA-N
MW363.49 g/mol
LogP3.63
Rot. Bonds6

About N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 99587722) has the molecular formula C15H13N3O2S3 and a molecular weight of 363.49 g/mol. Its IUPAC name is N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID99587722
Molecular FormulaC15H13N3O2S3
Molecular Weight363.49 g/mol
Exact Mass363.02
IUPAC NameN-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(SCc2ccccc2)s1)c1ccccc1
InChIInChI=1S/C15H13N3O2S3/c19-23(20,13-9-5-2-6-10-13)18-14-16-17-15(22-14)21-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,16,18)
InChIKeyQDLHHLUMDQDZDV-UHFFFAOYSA-N
XLogP3.63
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 99587722) is N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nnc(SCc2ccccc2)s1)c1ccccc1.
What is the InChIKey of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is QDLHHLUMDQDZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S3/c19-23(20,13-9-5-2-6-10-13)18-14-16-17-15(22-14)21-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,16,18).
What are the key properties of N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 363.49 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 99587722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).