N-[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-thiadiazol-2-amine

C15H10F3N3O2S2 — CID 73296236

IUPACN-[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-thiadiazol-2-amine
SMILESO=S(=O)(c1ccc(Nc2nncs2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F3N3O2S2/c16-15(17,18)10-2-1-3-13(8-10)25(22,23)12-6-4-11(5-7-12)20-14-21-19-9-24-14/h1-9H,(H,20,21)
InChIKeyKAQZQFPYKRJGSK-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.13
Rot. Bonds4

About N-[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-thiadiazol-2-amine

N-[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 73296236) has the molecular formula C15H10F3N3O2S2 and a molecular weight of 385.39 g/mol. Its IUPAC name is N-[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-thiadiazol-2-amine
PubChem CID73296236
Molecular FormulaC15H10F3N3O2S2
Molecular Weight385.39 g/mol
Exact Mass385.02
IUPAC NameN-[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-thiadiazol-2-amine
SMILESO=S(=O)(c1ccc(Nc2nncs2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F3N3O2S2/c16-15(17,18)10-2-1-3-13(8-10)25(22,23)12-6-4-11(5-7-12)20-14-21-19-9-24-14/h1-9H,(H,20,21)
InChIKeyKAQZQFPYKRJGSK-UHFFFAOYSA-N
XLogP4.13
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[1-[3-(trifluoromethyl)phenyl]prop-2-enylsulfonyl]phenyl]-1,3,4-thiadiazol-2-amine
CID 174743302
N-(1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 71967960
N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 122354626
1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine
CID 73295562
2-methyl-2-[3-(trifluoromethyl)phenyl]sulfonyl-N-[[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]propanamide
CID 90100356
N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide
CID 82724634
4-phenyl-5-[3-(trifluoromethyl)phenyl]sulfonylthiadiazole
CID 3720994
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
N-[4-(4-chloro-3-methylphenyl)sulfonyl-3-fluorophenyl]-1,3,4-thiadiazol-2-amine
CID 118230874
4,4,4-trifluoro-N-[[4-[3-(trifluoromethyl)phenyl]sulfonyl-2-pyridinyl]methyl]butanamide
CID 90100416
CID 70262336
CID 70262336
potassium [3-(trifluoromethyl)phenyl]sulfonylazanide
CID 131721326

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-thiadiazol-2-amine (CID 73296236) is N-[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-thiadiazol-2-amine is O=S(=O)(c1ccc(Nc2nncs2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is KAQZQFPYKRJGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2S2/c16-15(17,18)10-2-1-3-13(8-10)25(22,23)12-6-4-11(5-7-12)20-14-21-19-9-24-14/h1-9H,(H,20,21).
What are the key properties of N-[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-thiadiazol-2-amine?
N-[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 385.39 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 73296236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).