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

C12H6Cl3N3O2S3 — CID 11373686

IUPAC2,5-dichloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2sccc2Cl)ns1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H6Cl3N3O2S3/c13-6-1-2-7(14)9(5-6)23(19,20)18-12-16-11(17-22-12)10-8(15)3-4-21-10/h1-5H,(H,16,17,18)
InChIKeyDJPVJNMUXLJXIO-UHFFFAOYSA-N
MW426.76 g/mol
LogP5.03
Rot. Bonds4

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

2,5-dichloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide (PubChem CID 11373686) has the molecular formula C12H6Cl3N3O2S3 and a molecular weight of 426.76 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
PubChem CID11373686
Molecular FormulaC12H6Cl3N3O2S3
Molecular Weight426.76 g/mol
Exact Mass424.87
IUPAC Name2,5-dichloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2sccc2Cl)ns1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H6Cl3N3O2S3/c13-6-1-2-7(14)9(5-6)23(19,20)18-12-16-11(17-22-12)10-8(15)3-4-21-10/h1-5H,(H,16,17,18)
InChIKeyDJPVJNMUXLJXIO-UHFFFAOYSA-N
XLogP5.03
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.76
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide (CID 11373686) is 2,5-dichloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide is O=S(=O)(Nc1nc(-c2sccc2Cl)ns1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The InChIKey is DJPVJNMUXLJXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3N3O2S3/c13-6-1-2-7(14)9(5-6)23(19,20)18-12-16-11(17-22-12)10-8(15)3-4-21-10/h1-5H,(H,16,17,18).
What are the key properties of 2,5-dichloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
2,5-dichloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide has a molecular weight of 426.76 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 11373686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).