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

C4H4F3N3O2S2 — CID 3151634

IUPACN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C4H4F3N3O2S2/c1-14(11,12)10-3-9-8-2(13-3)4(5,6)7/h1H3,(H,9,10)
InChIKeyLMLBLHKYJINYIA-UHFFFAOYSA-N
MW247.22 g/mol
LogP0.93
Rot. Bonds2

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

N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide (PubChem CID 3151634) has the molecular formula C4H4F3N3O2S2 and a molecular weight of 247.22 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
PubChem CID3151634
Molecular FormulaC4H4F3N3O2S2
Molecular Weight247.22 g/mol
Exact Mass246.97
IUPAC NameN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C4H4F3N3O2S2/c1-14(11,12)10-3-9-8-2(13-3)4(5,6)7/h1H3,(H,9,10)
InChIKeyLMLBLHKYJINYIA-UHFFFAOYSA-N
XLogP0.93
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Amino-1,3,4-thiadiazol-2-YL)-1,1-difluoromethanesulfonamide
CID 9543502
N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 645242
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfamide
CID 44571847
[S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite
CID 20705451
(5-Methyl-1,3,4-thiadiazol-2-yl)-(trifluoromethylsulfonyl)azanide
CID 59998590
[S-(difluoromethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfonimidoyl] hypofluorite
CID 140426517
sodium N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfamate
CID 174221654
Sodium (5-amino-1,3,4-thiadiazol-2-yl)-difluoromethanesulfonate
CID 23677820
1,1,1-trifluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 59998591
1,1,1-trifluoro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 140490833
N-(5-methyl-1,3,4-thiadiazol-2-yl)methanesulfonamide;molecular hydrogen
CID 158477957
lithium [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite
CID 160782649

Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The IUPAC name of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide (CID 3151634) is N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The canonical SMILES for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide is CS(=O)(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
The InChIKey is LMLBLHKYJINYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3O2S2/c1-14(11,12)10-3-9-8-2(13-3)4(5,6)7/h1H3,(H,9,10).
What are the key properties of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide?
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide has a molecular weight of 247.22 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 3151634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).