N-(1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide

C10H8F3N3O2S2 — CID 71967960

IUPACN-(1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(C(F)(F)F)c1)Nc1nncs1
InChIInChI=1S/C10H8F3N3O2S2/c11-10(12,13)8-3-1-2-7(4-8)5-20(17,18)16-9-15-14-6-19-9/h1-4,6H,5H2,(H,15,16)
InChIKeyDGKSUMHODIDZQV-UHFFFAOYSA-N
MW323.32 g/mol
LogP2.50
Rot. Bonds4

About N-(1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide

N-(1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 71967960) has the molecular formula C10H8F3N3O2S2 and a molecular weight of 323.32 g/mol. Its IUPAC name is N-(1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID71967960
Molecular FormulaC10H8F3N3O2S2
Molecular Weight323.32 g/mol
Exact Mass323.00
IUPAC NameN-(1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(C(F)(F)F)c1)Nc1nncs1
InChIInChI=1S/C10H8F3N3O2S2/c11-10(12,13)8-3-1-2-7(4-8)5-20(17,18)16-9-15-14-6-19-9/h1-4,6H,5H2,(H,15,16)
InChIKeyDGKSUMHODIDZQV-UHFFFAOYSA-N
XLogP2.50
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(aminomethyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 106081189
N-(cyanomethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 15616017
N-[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-thiadiazol-2-amine
CID 73296236
N-[2-(propylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 120715926
N-(2-amino-1,2-diphenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 59537440
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 67026953
2-[6-methyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]methylsulfonylamino]-1-pyridinyl]acetamide
CID 67566217
N-[(4-methylpiperidin-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 120719963
2-methyl-5-[1-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethyl]-1,3,4-oxadiazole
CID 47069271
3-[3-(trifluoromethyl)phenyl]prop-1-yne-1-sulfonyl chloride
CID 117265295
2-methyl-1-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 111268135
2,6-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 163353225

Frequently Asked Questions

What is the IUPAC name of N-(1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide (CID 71967960) is N-(1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide is O=S(=O)(Cc1cccc(C(F)(F)F)c1)Nc1nncs1.
What is the InChIKey of N-(1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is DGKSUMHODIDZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2S2/c11-10(12,13)8-3-1-2-7(4-8)5-20(17,18)16-9-15-14-6-19-9/h1-4,6H,5H2,(H,15,16).
What are the key properties of N-(1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
N-(1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 323.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 71967960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).