4-(difluoromethylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

C11H9F2N3O3S2 — CID 2444277

IUPAC4-(difluoromethylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)s1
InChIInChI=1S/C11H9F2N3O3S2/c1-6-15-16-11(20-6)14-9(17)7-2-4-8(5-3-7)21(18,19)10(12)13/h2-5,10H,1H3,(H,14,16,17)
InChIKeyDCEUPMOWKLFRER-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.10
Rot. Bonds4

About 4-(difluoromethylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

4-(difluoromethylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 2444277) has the molecular formula C11H9F2N3O3S2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID2444277
Molecular FormulaC11H9F2N3O3S2
Molecular Weight333.34 g/mol
Exact Mass333.01
IUPAC Name4-(difluoromethylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)s1
InChIInChI=1S/C11H9F2N3O3S2/c1-6-15-16-11(20-6)14-9(17)7-2-4-8(5-3-7)21(18,19)10(12)13/h2-5,10H,1H3,(H,14,16,17)
InChIKeyDCEUPMOWKLFRER-UHFFFAOYSA-N
XLogP2.10
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 1547913
N-(5-Methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 569553
N-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 569481
N-(5-Ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 569586
2,6-difluoro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 330490
4-Cyclohexylsulfamoyl-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 646755
4-(dimethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 745411
2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 838742
3-(diethylsulfamoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1117931
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-[(dimethylamino)sulfonyl]benzamide
CID 1262875
2-(2-methoxyethylthio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2218468

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 2444277) is 4-(difluoromethylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)s1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is DCEUPMOWKLFRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O3S2/c1-6-15-16-11(20-6)14-9(17)7-2-4-8(5-3-7)21(18,19)10(12)13/h2-5,10H,1H3,(H,14,16,17).
What are the key properties of 4-(difluoromethylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
4-(difluoromethylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 333.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 2444277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).