4-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]benzenesulfonamide

C10H9F3N4O2S2 — CID 107304669

IUPAC4-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nc(C(F)(F)F)ns2)cc1
InChIInChI=1S/C10H9F3N4O2S2/c11-10(12,13)8-16-9(20-17-8)15-5-6-1-3-7(4-2-6)21(14,18)19/h1-4H,5H2,(H2,14,18,19)(H,15,16,17)
InChIKeyPROZPGAPJTUIME-UHFFFAOYSA-N
MW338.34 g/mol
LogP1.82
Rot. Bonds4

About 4-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]benzenesulfonamide

4-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]benzenesulfonamide (PubChem CID 107304669) has the molecular formula C10H9F3N4O2S2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 4-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]benzenesulfonamide
PubChem CID107304669
Molecular FormulaC10H9F3N4O2S2
Molecular Weight338.34 g/mol
Exact Mass338.01
IUPAC Name4-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nc(C(F)(F)F)ns2)cc1
InChIInChI=1S/C10H9F3N4O2S2/c11-10(12,13)8-16-9(20-17-8)15-5-6-1-3-7(4-2-6)21(14,18)19/h1-4H,5H2,(H2,14,18,19)(H,15,16,17)
InChIKeyPROZPGAPJTUIME-UHFFFAOYSA-N
XLogP1.82
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]benzenesulfonamide (CID 107304669) is 4-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2nc(C(F)(F)F)ns2)cc1.
What is the InChIKey of 4-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]benzenesulfonamide?
The InChIKey is PROZPGAPJTUIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O2S2/c11-10(12,13)8-16-9(20-17-8)15-5-6-1-3-7(4-2-6)21(14,18)19/h1-4H,5H2,(H2,14,18,19)(H,15,16,17).
What are the key properties of 4-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]benzenesulfonamide?
4-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]benzenesulfonamide has a molecular weight of 338.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 107304669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).