2,5-dimethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide

C11H10F3N3O4S2 — CID 56684245

IUPAC2,5-dimethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)c1
InChIInChI=1S/C11H10F3N3O4S2/c1-20-6-3-4-7(21-2)8(5-6)23(18,19)17-10-16-15-9(22-10)11(12,13)14/h3-5H,1-2H3,(H,16,17)
InChIKeyCGFHDKSWZWHUHW-UHFFFAOYSA-N
MW369.35 g/mol
LogP2.37
Rot. Bonds5

About 2,5-dimethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide

2,5-dimethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (PubChem CID 56684245) has the molecular formula C11H10F3N3O4S2 and a molecular weight of 369.35 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
PubChem CID56684245
Molecular FormulaC11H10F3N3O4S2
Molecular Weight369.35 g/mol
Exact Mass369.01
IUPAC Name2,5-dimethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)c1
InChIInChI=1S/C11H10F3N3O4S2/c1-20-6-3-4-7(21-2)8(5-6)23(18,19)17-10-16-15-9(22-10)11(12,13)14/h3-5H,1-2H3,(H,16,17)
InChIKeyCGFHDKSWZWHUHW-UHFFFAOYSA-N
XLogP2.37
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Benzenesulfonamide, N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-p-methoxy-
CID 198956
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 1094170
4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 787504
4-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 750630
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide
CID 750627
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2744632
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2744641
US10370333, Example V-19
CID 56684296
4-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 172434079
4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 3151633
[5-(2-Ethoxyethyl)(1,3,4-thiadiazol-2-yl)][(4-methoxyphenyl)sulfonyl]amine
CID 3159782
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2,5-dimethoxybenzenesulfonamide
CID 89768970

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (CID 56684245) is 2,5-dimethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The InChIKey is CGFHDKSWZWHUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O4S2/c1-20-6-3-4-7(21-2)8(5-6)23(18,19)17-10-16-15-9(22-10)11(12,13)14/h3-5H,1-2H3,(H,16,17).
What are the key properties of 2,5-dimethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
2,5-dimethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide has a molecular weight of 369.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 56684245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).