1,1,1-trifluoro-N-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanesulfonamide

C15H10F3N3O3S2 — CID 139753868

IUPAC1,1,1-trifluoro-N-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2nc(-c3ccccc3)ns2)cc1)C(F)(F)F
InChIInChI=1S/C15H10F3N3O3S2/c16-15(17,18)26(22,23)21-11-6-8-12(9-7-11)24-14-19-13(20-25-14)10-4-2-1-3-5-10/h1-9,21H
InChIKeyKAWOCEJDSQZTMM-UHFFFAOYSA-N
MW401.39 g/mol
LogP4.26
Rot. Bonds5

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

1,1,1-trifluoro-N-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanesulfonamide (PubChem CID 139753868) has the molecular formula C15H10F3N3O3S2 and a molecular weight of 401.39 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanesulfonamide
PubChem CID139753868
Molecular FormulaC15H10F3N3O3S2
Molecular Weight401.39 g/mol
Exact Mass401.01
IUPAC Name1,1,1-trifluoro-N-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2nc(-c3ccccc3)ns2)cc1)C(F)(F)F
InChIInChI=1S/C15H10F3N3O3S2/c16-15(17,18)26(22,23)21-11-6-8-12(9-7-11)24-14-19-13(20-25-14)10-4-2-1-3-5-10/h1-9,21H
InChIKeyKAWOCEJDSQZTMM-UHFFFAOYSA-N
XLogP4.26
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Methoxy-phenyl)-3-(3-phenyl-[1,2,4]thiadiazol-5-yl)-urea
CID 10758495
3-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine
CID 163323037
3-(3-methoxyphenyl)-N-(4-(trifluoromethyl)phenyl)-1,2,4-thiadiazol-5-amine
CID 163323075
2-(4-Methoxyphenyl)-3-phenyl-1,2,4-thiadiazol-2-ium-5-amine
CID 509135
1,1,1-trifluoro-N-[4-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)oxy]phenyl]methanesulfonamide
CID 139753822
1,1,1-trifluoro-N-[4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)oxy]phenyl]methanesulfonamide
CID 139753863
Ethane;4-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazol-3-yl]aniline
CID 144134846
N-(4-methoxyphenyl)-3-phenyl-1,2,4-thiadiazol-5-amine
CID 176436842
2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)-N-(4-(trifluoromethoxy)phenyl)acetamide
CID 7119285
2-((3-(p-tolyl)-1,2,4-thiadiazol-5-yl)thio)-N-(4-(trifluoromethoxy)phenyl)acetamide
CID 18554672
2-((3-(m-tolyl)-1,2,4-thiadiazol-5-yl)thio)-N-(4-(trifluoromethoxy)phenyl)acetamide
CID 18554677
4-[(3-Methyl-1,2,4-thiadiazol-5-yl)oxy]-3-(trifluoromethyl)aniline
CID 65273141

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanesulfonamide (CID 139753868) is 1,1,1-trifluoro-N-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanesulfonamide is O=S(=O)(Nc1ccc(Oc2nc(-c3ccccc3)ns2)cc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanesulfonamide?
The InChIKey is KAWOCEJDSQZTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O3S2/c16-15(17,18)26(22,23)21-11-6-8-12(9-7-11)24-14-19-13(20-25-14)10-4-2-1-3-5-10/h1-9,21H.
What are the key properties of 1,1,1-trifluoro-N-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanesulfonamide?
1,1,1-trifluoro-N-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanesulfonamide has a molecular weight of 401.39 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]methanesulfonamide is sourced from PubChem (CID 139753868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).