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

C15H9ClF3N3O3S — CID 73295729

IUPACN-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-amine
SMILESO=S(=O)(c1ccc(Nc2nnco2)cc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H9ClF3N3O3S/c16-13-6-5-11(7-12(13)15(17,18)19)26(23,24)10-3-1-9(2-4-10)21-14-22-20-8-25-14/h1-8H,(H,21,22)
InChIKeyYVUIQHKJPBSQSU-UHFFFAOYSA-N
MW403.77 g/mol
LogP4.32
Rot. Bonds4

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

N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 73295729) has the molecular formula C15H9ClF3N3O3S and a molecular weight of 403.77 g/mol. Its IUPAC name is N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-amine
PubChem CID73295729
Molecular FormulaC15H9ClF3N3O3S
Molecular Weight403.77 g/mol
Exact Mass403.00
IUPAC NameN-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-amine
SMILESO=S(=O)(c1ccc(Nc2nnco2)cc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H9ClF3N3O3S/c16-13-6-5-11(7-12(13)15(17,18)19)26(23,24)10-3-1-9(2-4-10)21-14-22-20-8-25-14/h1-8H,(H,21,22)
InChIKeyYVUIQHKJPBSQSU-UHFFFAOYSA-N
XLogP4.32
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.77
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-3-methylsulfanyl-1,2,4-triazole
CID 147325894
N-[3-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazin-6-yl]-1,3,4-thiadiazol-2-amine
CID 73295898
5-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2-nitropyridine
CID 153379618
4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 56532242
4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 75505555
1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine
CID 73295562
1-[5-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-2-nitrophenyl]piperidine
CID 139507437
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 25469886
methyl N-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]carbamate
CID 8501015
4-chloro-N-[2,4-dichloro-5-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 54115765
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 9240243
2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]methyl]-1-cyano-3-pyridin-4-ylguanidine
CID 56929164

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-amine (CID 73295729) is N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-amine is O=S(=O)(c1ccc(Nc2nnco2)cc1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is YVUIQHKJPBSQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O3S/c16-13-6-5-11(7-12(13)15(17,18)19)26(23,24)10-3-1-9(2-4-10)21-14-22-20-8-25-14/h1-8H,(H,21,22).
What are the key properties of N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-amine?
N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 403.77 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 73295729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).