5-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-sulfonamide

C7H3ClF3N3O2S3 — CID 71914093

IUPAC5-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nnc(C(F)(F)F)s1)c1ccc(Cl)s1
InChIInChI=1S/C7H3ClF3N3O2S3/c8-3-1-2-4(17-3)19(15,16)14-6-13-12-5(18-6)7(9,10)11/h1-2H,(H,13,14)
InChIKeyHOEWJESFECZEIT-UHFFFAOYSA-N
MW349.77 g/mol
LogP3.07
Rot. Bonds3

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

5-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-sulfonamide (PubChem CID 71914093) has the molecular formula C7H3ClF3N3O2S3 and a molecular weight of 349.77 g/mol. Its IUPAC name is 5-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-sulfonamide
PubChem CID71914093
Molecular FormulaC7H3ClF3N3O2S3
Molecular Weight349.77 g/mol
Exact Mass348.90
IUPAC Name5-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nnc(C(F)(F)F)s1)c1ccc(Cl)s1
InChIInChI=1S/C7H3ClF3N3O2S3/c8-3-1-2-4(17-3)19(15,16)14-6-13-12-5(18-6)7(9,10)11/h1-2H,(H,13,14)
InChIKeyHOEWJESFECZEIT-UHFFFAOYSA-N
XLogP3.07
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-sulfonamide (CID 71914093) is 5-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1nnc(C(F)(F)F)s1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-sulfonamide?
The InChIKey is HOEWJESFECZEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3N3O2S3/c8-3-1-2-4(17-3)19(15,16)14-6-13-12-5(18-6)7(9,10)11/h1-2H,(H,13,14).
What are the key properties of 5-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-sulfonamide?
5-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-sulfonamide has a molecular weight of 349.77 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 71914093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).