2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide

C10H11N3O2S3 — CID 15925722

IUPAC2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
SMILESCSc1nnc(Cc2ccccc2S(N)(=O)=O)s1
InChIInChI=1S/C10H11N3O2S3/c1-16-10-13-12-9(17-10)6-7-4-2-3-5-8(7)18(11,14)15/h2-5H,6H2,1H3,(H2,11,14,15)
InChIKeyHKHYMECRIBPGHD-UHFFFAOYSA-N
MW301.42 g/mol
LogP1.50
Rot. Bonds4

About 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide

2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 15925722) has the molecular formula C10H11N3O2S3 and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
PubChem CID15925722
Molecular FormulaC10H11N3O2S3
Molecular Weight301.42 g/mol
Exact Mass301.00
IUPAC Name2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
SMILESCSc1nnc(Cc2ccccc2S(N)(=O)=O)s1
InChIInChI=1S/C10H11N3O2S3/c1-16-10-13-12-9(17-10)6-7-4-2-3-5-8(7)18(11,14)15/h2-5H,6H2,1H3,(H2,11,14,15)
InChIKeyHKHYMECRIBPGHD-UHFFFAOYSA-N
XLogP1.50
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide (CID 15925722) is 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide is CSc1nnc(Cc2ccccc2S(N)(=O)=O)s1.
What is the InChIKey of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is HKHYMECRIBPGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S3/c1-16-10-13-12-9(17-10)6-7-4-2-3-5-8(7)18(11,14)15/h2-5H,6H2,1H3,(H2,11,14,15).
What are the key properties of 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide?
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 301.42 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 15925722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).