4-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide

C15H11N3O3S2 — CID 646945

IUPAC4-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H11N3O3S2/c19-14(17-15-18-16-10-22-15)11-6-8-13(9-7-11)23(20,21)12-4-2-1-3-5-12/h1-10H,(H,17,18,19)
InChIKeyREXRVXRLRRAXFT-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.62
Rot. Bonds4

About 4-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide

4-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 646945) has the molecular formula C15H11N3O3S2 and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID646945
Molecular FormulaC15H11N3O3S2
Molecular Weight345.41 g/mol
Exact Mass345.02
IUPAC Name4-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccc(S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H11N3O3S2/c19-14(17-15-18-16-10-22-15)11-6-8-13(9-7-11)23(20,21)12-4-2-1-3-5-12/h1-10H,(H,17,18,19)
InChIKeyREXRVXRLRRAXFT-UHFFFAOYSA-N
XLogP2.62
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(difluoromethylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2444277
2-phenyl-2-(phenylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 2862025
2-(2-methoxyethylthio)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 654230
4-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 745411
2-ethylsulfanyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 970312
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(dimethylamino)sulfonyl]benzamide
CID 1262875
4-(N,N-dimethylsulfamoyl)-N-(5-(methylthio)-1,3,4-thiadiazol-2-yl)benzamide
CID 7095490
N-{5-[(carbamoylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(piperidine-1-sulfonyl)benzamide
CID 24892358
4-Sulfamoyl-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 44295756
4-(dipropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 118706959
4-[(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 2421021
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylsulfonylbenzamide
CID 2476985

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 646945) is 4-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1ccc(S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is REXRVXRLRRAXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3S2/c19-14(17-15-18-16-10-22-15)11-6-8-13(9-7-11)23(20,21)12-4-2-1-3-5-12/h1-10H,(H,17,18,19).
What are the key properties of 4-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide?
4-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 345.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 646945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).