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

C9H6F3N3O2S2 — CID 1320903

IUPACN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(C(F)(F)F)s1)c1ccccc1
InChIInChI=1S/C9H6F3N3O2S2/c10-9(11,12)7-13-14-8(18-7)15-19(16,17)6-4-2-1-3-5-6/h1-5H,(H,14,15)
InChIKeyYHTDPSNGBGWFKO-UHFFFAOYSA-N
MW309.29 g/mol
LogP2.36
Rot. Bonds3

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

N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (PubChem CID 1320903) has the molecular formula C9H6F3N3O2S2 and a molecular weight of 309.29 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
PubChem CID1320903
Molecular FormulaC9H6F3N3O2S2
Molecular Weight309.29 g/mol
Exact Mass308.99
IUPAC NameN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(C(F)(F)F)s1)c1ccccc1
InChIInChI=1S/C9H6F3N3O2S2/c10-9(11,12)7-13-14-8(18-7)15-19(16,17)6-4-2-1-3-5-6/h1-5H,(H,14,15)
InChIKeyYHTDPSNGBGWFKO-UHFFFAOYSA-N
XLogP2.36
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The IUPAC name of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (CID 1320903) is N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is O=S(=O)(Nc1nnc(C(F)(F)F)s1)c1ccccc1.
What is the InChIKey of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The InChIKey is YHTDPSNGBGWFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O2S2/c10-9(11,12)7-13-14-8(18-7)15-19(16,17)6-4-2-1-3-5-6/h1-5H,(H,14,15).
What are the key properties of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide has a molecular weight of 309.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 1320903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).