3-chloro-N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide

C10H8ClN3O3S2 — CID 17012997

IUPAC3-chloro-N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCS(=O)(=O)c1nnc(NC(=O)c2cccc(Cl)c2)s1
InChIInChI=1S/C10H8ClN3O3S2/c1-19(16,17)10-14-13-9(18-10)12-8(15)6-3-2-4-7(11)5-6/h2-5H,1H3,(H,12,13,15)
InChIKeyZODNMEIHFXIMFM-UHFFFAOYSA-N
MW317.78 g/mol
LogP1.85
Rot. Bonds3

About 3-chloro-N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide

3-chloro-N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 17012997) has the molecular formula C10H8ClN3O3S2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 3-chloro-N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID17012997
Molecular FormulaC10H8ClN3O3S2
Molecular Weight317.78 g/mol
Exact Mass316.97
IUPAC Name3-chloro-N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCS(=O)(=O)c1nnc(NC(=O)c2cccc(Cl)c2)s1
InChIInChI=1S/C10H8ClN3O3S2/c1-19(16,17)10-14-13-9(18-10)12-8(15)6-3-2-4-7(11)5-6/h2-5H,1H3,(H,12,13,15)
InChIKeyZODNMEIHFXIMFM-UHFFFAOYSA-N
XLogP1.85
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[5-[ethyl-(2-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 22518022
3-chloro-N-[5-[(1S)-1-phenylpropyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1390679
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-chlorobenzamide
CID 5050273
N-[5-[(3,5-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100559170
N-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 100524820
3-chloro-N-[5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 3357173
2-chloro-N-[5-[(3-chlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100761553
3-chloro-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 51721207
3-chloro-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 18864455
3-chloro-N-[5-(cyclopropylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 42805599
2,4-dichloro-N-[5-[(3-chlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100598190
3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4684808

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-chloro-N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide (CID 17012997) is 3-chloro-N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-chloro-N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide is CS(=O)(=O)c1nnc(NC(=O)c2cccc(Cl)c2)s1.
What is the InChIKey of 3-chloro-N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is ZODNMEIHFXIMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O3S2/c1-19(16,17)10-14-13-9(18-10)12-8(15)6-3-2-4-7(11)5-6/h2-5H,1H3,(H,12,13,15).
What are the key properties of 3-chloro-N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide?
3-chloro-N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 317.78 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 17012997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).