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

C9H4Cl2F3N3O2S2 — CID 3383428

IUPAC2,5-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(C(F)(F)F)s1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H4Cl2F3N3O2S2/c10-4-1-2-5(11)6(3-4)21(18,19)17-8-16-15-7(20-8)9(12,13)14/h1-3H,(H,16,17)
InChIKeyPOXCVZSTAOZIBD-UHFFFAOYSA-N
MW378.18 g/mol
LogP3.66
Rot. Bonds3

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

2,5-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (PubChem CID 3383428) has the molecular formula C9H4Cl2F3N3O2S2 and a molecular weight of 378.18 g/mol. Its IUPAC name is 2,5-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
PubChem CID3383428
Molecular FormulaC9H4Cl2F3N3O2S2
Molecular Weight378.18 g/mol
Exact Mass376.91
IUPAC Name2,5-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(C(F)(F)F)s1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H4Cl2F3N3O2S2/c10-4-1-2-5(11)6(3-4)21(18,19)17-8-16-15-7(20-8)9(12,13)14/h1-3H,(H,16,17)
InChIKeyPOXCVZSTAOZIBD-UHFFFAOYSA-N
XLogP3.66
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.18
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (CID 3383428) is 2,5-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is O=S(=O)(Nc1nnc(C(F)(F)F)s1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The InChIKey is POXCVZSTAOZIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2F3N3O2S2/c10-4-1-2-5(11)6(3-4)21(18,19)17-8-16-15-7(20-8)9(12,13)14/h1-3H,(H,16,17).
What are the key properties of 2,5-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
2,5-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide has a molecular weight of 378.18 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 3383428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).