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

C9H8ClN3O2S2 — CID 749784

IUPAC4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C9H8ClN3O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,1H3,(H,12,13)
InChIKeyZBVVBKXZLBYEOY-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.30
Rot. Bonds3

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

4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 749784) has the molecular formula C9H8ClN3O2S2 and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID749784
Molecular FormulaC9H8ClN3O2S2
Molecular Weight289.77 g/mol
Exact Mass288.97
IUPAC Name4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C9H8ClN3O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,1H3,(H,12,13)
InChIKeyZBVVBKXZLBYEOY-UHFFFAOYSA-N
XLogP2.30
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 787282
2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 16944742
4-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 697506
N-[5-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide
CID 135391827
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide
CID 3383419
1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 43853268
2-hydroxy-2-oxoacetate;[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]azanium
CID 139147987
1-methyl-3-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]thiourea
CID 25048375
4-chloro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
CID 110870210
3-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzenesulfonamide
CID 115869758
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 174831503
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzenesulfonamide
CID 19203756

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 749784) is 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is Cc1nnc(NS(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is ZBVVBKXZLBYEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,1H3,(H,12,13).
What are the key properties of 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 289.77 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 749784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).