2,5-dichloro-N-(1,3-thiazol-2-yl)benzenesulfonamide

C9H6Cl2N2O2S2 — CID 661093

IUPAC2,5-dichloro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H6Cl2N2O2S2/c10-6-1-2-7(11)8(5-6)17(14,15)13-9-12-3-4-16-9/h1-5H,(H,12,13)
InChIKeyDJRKCQFSAXVEED-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.25
Rot. Bonds3

About 2,5-dichloro-N-(1,3-thiazol-2-yl)benzenesulfonamide

2,5-dichloro-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 661093) has the molecular formula C9H6Cl2N2O2S2 and a molecular weight of 309.20 g/mol. Its IUPAC name is 2,5-dichloro-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID661093
Molecular FormulaC9H6Cl2N2O2S2
Molecular Weight309.20 g/mol
Exact Mass307.92
IUPAC Name2,5-dichloro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H6Cl2N2O2S2/c10-6-1-2-7(11)8(5-6)17(14,15)13-9-12-3-4-16-9/h1-5H,(H,12,13)
InChIKeyDJRKCQFSAXVEED-UHFFFAOYSA-N
XLogP3.25
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 661093) is 2,5-dichloro-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is DJRKCQFSAXVEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O2S2/c10-6-1-2-7(11)8(5-6)17(14,15)13-9-12-3-4-16-9/h1-5H,(H,12,13).
What are the key properties of 2,5-dichloro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
2,5-dichloro-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 309.20 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 661093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).