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

C10H8F3N3O3S2 — CID 2744632

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C10H8F3N3O3S2/c1-6-14-15-9(20-6)16-21(17,18)8-4-2-7(3-5-8)19-10(11,12)13/h2-5H,1H3,(H,15,16)
InChIKeyYDOHULZFMILOFI-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.55
Rot. Bonds4

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

N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 2744632) has the molecular formula C10H8F3N3O3S2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID2744632
Molecular FormulaC10H8F3N3O3S2
Molecular Weight339.32 g/mol
Exact Mass339.00
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1nnc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C10H8F3N3O3S2/c1-6-14-15-9(20-6)16-21(17,18)8-4-2-7(3-5-8)19-10(11,12)13/h2-5H,1H3,(H,15,16)
InChIKeyYDOHULZFMILOFI-UHFFFAOYSA-N
XLogP2.55
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide (CID 2744632) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide is Cc1nnc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is YDOHULZFMILOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O3S2/c1-6-14-15-9(20-6)16-21(17,18)8-4-2-7(3-5-8)19-10(11,12)13/h2-5H,1H3,(H,15,16).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 339.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 2744632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).