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

C9H5ClF3N3O3S2 — CID 139753885

IUPACN-[4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2nsnc2Cl)cc1)C(F)(F)F
InChIInChI=1S/C9H5ClF3N3O3S2/c10-7-8(15-20-14-7)19-6-3-1-5(2-4-6)16-21(17,18)9(11,12)13/h1-4,16H
InChIKeyXZLWKSNBDQIFGZ-UHFFFAOYSA-N
MW359.74 g/mol
LogP3.25
Rot. Bonds4

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

N-[4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]phenyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 139753885) has the molecular formula C9H5ClF3N3O3S2 and a molecular weight of 359.74 g/mol. Its IUPAC name is N-[4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]phenyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]phenyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID139753885
Molecular FormulaC9H5ClF3N3O3S2
Molecular Weight359.74 g/mol
Exact Mass358.94
IUPAC NameN-[4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2nsnc2Cl)cc1)C(F)(F)F
InChIInChI=1S/C9H5ClF3N3O3S2/c10-7-8(15-20-14-7)19-6-3-1-5(2-4-6)16-21(17,18)9(11,12)13/h1-4,16H
InChIKeyXZLWKSNBDQIFGZ-UHFFFAOYSA-N
XLogP3.25
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(6-chloropyridazin-3-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide
CID 13050847
3-chloro-4-(4-methylphenoxy)-1,2,5-thiadiazole
CID 15050039
3-chloro-5-(4-fluorophenoxy)-1,2,6-thiadiazin-4-one
CID 15593692
1,1,1-trifluoro-N-[4-(2-phenylquinazolin-4-yl)oxyphenyl]methanesulfonamide
CID 139753839
1-[4-[(5-chloro-4-oxo-1,2,6-thiadiazin-3-yl)oxy]phenyl]-3-methylurea
CID 57210374
N-(4-aminophenyl)-1,1,1-trifluoromethanesulfonamide
CID 43602626
1,1,2,2,2-pentafluoro-N-(4-methoxyphenyl)ethanesulfonamide
CID 129295019
3-(6-bromonaphthalen-2-yl)oxy-4-chloro-1,2,5-thiadiazole
CID 63506612
N-[3-(4-chlorophenoxy)-4-pyridinyl]-1,1,1-trifluoromethanesulfonamide
CID 11772569
N-[3-chloro-4-(5-chloropyrimidin-2-yl)oxyphenyl]-1,1,1-trifluoromethanesulfonamide
CID 139696221
1,1,1-trifluoro-N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]methanesulfonamide
CID 20703811
N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide
CID 17283107

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]phenyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]phenyl]-1,1,1-trifluoromethanesulfonamide (CID 139753885) is N-[4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]phenyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]phenyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]phenyl]-1,1,1-trifluoromethanesulfonamide is O=S(=O)(Nc1ccc(Oc2nsnc2Cl)cc1)C(F)(F)F.
What is the InChIKey of N-[4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]phenyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is XZLWKSNBDQIFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3N3O3S2/c10-7-8(15-20-14-7)19-6-3-1-5(2-4-6)16-21(17,18)9(11,12)13/h1-4,16H.
What are the key properties of N-[4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]phenyl]-1,1,1-trifluoromethanesulfonamide?
N-[4-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]phenyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 359.74 g/mol, XLogP of 3.25, 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-1,2,5-thiadiazol-3-yl)oxy]phenyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 139753885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).