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

C9H9N3O2S3 — CID 66905609

IUPACN-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCSc1nnc(NS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C9H9N3O2S3/c1-15-9-11-10-8(16-9)12-17(13,14)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,12)
InChIKeyRXASGEMFBQYIGX-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.06
Rot. Bonds4

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

N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 66905609) has the molecular formula C9H9N3O2S3 and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID66905609
Molecular FormulaC9H9N3O2S3
Molecular Weight287.39 g/mol
Exact Mass286.99
IUPAC NameN-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCSc1nnc(NS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C9H9N3O2S3/c1-15-9-11-10-8(16-9)12-17(13,14)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,12)
InChIKeyRXASGEMFBQYIGX-UHFFFAOYSA-N
XLogP2.06
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 4915020
2-[[5-[(3-methylphenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61283396
4-methylsulfonyl-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 100574277
N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
CID 87198601
N-ethyl-2-methoxy-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzamide
CID 100668497
1-acetyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 100621779
4-fluoro-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 119047604
2-[[5-[(4-iodophenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61283779
4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 787282
N-[4-[(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 100756184
4-fluoro-3-methyl-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 100697196
2-[[5-[(2-fluorophenyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61283777

Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 66905609) is N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is CSc1nnc(NS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is RXASGEMFBQYIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S3/c1-15-9-11-10-8(16-9)12-17(13,14)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,12).
What are the key properties of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 287.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 66905609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).