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

C15H17F2N3O3S2 — CID 8839573

IUPAC4-(difluoromethylsulfonyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCCc1nnc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)s1
InChIInChI=1S/C15H17F2N3O3S2/c1-2-3-4-5-12-19-20-15(24-12)18-13(21)10-6-8-11(9-7-10)25(22,23)14(16)17/h6-9,14H,2-5H2,1H3,(H,18,20,21)
InChIKeyLUFWSPGEAMWBSV-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.52
Rot. Bonds8

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

4-(difluoromethylsulfonyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 8839573) has the molecular formula C15H17F2N3O3S2 and a molecular weight of 389.45 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID8839573
Molecular FormulaC15H17F2N3O3S2
Molecular Weight389.45 g/mol
Exact Mass389.07
IUPAC Name4-(difluoromethylsulfonyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCCCc1nnc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)s1
InChIInChI=1S/C15H17F2N3O3S2/c1-2-3-4-5-12-19-20-15(24-12)18-13(21)10-6-8-11(9-7-10)25(22,23)14(16)17/h6-9,14H,2-5H2,1H3,(H,18,20,21)
InChIKeyLUFWSPGEAMWBSV-UHFFFAOYSA-N
XLogP3.52
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(difluoromethylsulfanyl)benzamide
CID 24648203
4-(cyclopropylsulfamoyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551104
4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46550915
4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099853
4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
9-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)fluorene-2-carboxamide
CID 24617419
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzamide
CID 26197220
4-[methyl(propan-2-yl)sulfamoyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34112252
3-(diethylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8839583
3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551224
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide
CID 26197121

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide (CID 8839573) is 4-(difluoromethylsulfonyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide is CCCCCc1nnc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)s1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is LUFWSPGEAMWBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3S2/c1-2-3-4-5-12-19-20-15(24-12)18-13(21)10-6-8-11(9-7-10)25(22,23)14(16)17/h6-9,14H,2-5H2,1H3,(H,18,20,21).
What are the key properties of 4-(difluoromethylsulfonyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide?
4-(difluoromethylsulfonyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 389.45 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 8839573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).