N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxybenzenesulfonamide

C12H8ClN3O3S2 — CID 65451329

IUPACN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1c(Cl)ccc2nsnc12)c1ccc(O)cc1
InChIInChI=1S/C12H8ClN3O3S2/c13-9-5-6-10-12(15-20-14-10)11(9)16-21(18,19)8-3-1-7(17)2-4-8/h1-6,16-17H
InChIKeyDTGSQQYUVMFHOT-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.85
Rot. Bonds3

About N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxybenzenesulfonamide

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxybenzenesulfonamide (PubChem CID 65451329) has the molecular formula C12H8ClN3O3S2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxybenzenesulfonamide
PubChem CID65451329
Molecular FormulaC12H8ClN3O3S2
Molecular Weight341.80 g/mol
Exact Mass340.97
IUPAC NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1c(Cl)ccc2nsnc12)c1ccc(O)cc1
InChIInChI=1S/C12H8ClN3O3S2/c13-9-5-6-10-12(15-20-14-10)11(9)16-21(18,19)8-3-1-7(17)2-4-8/h1-6,16-17H
InChIKeyDTGSQQYUVMFHOT-UHFFFAOYSA-N
XLogP2.85
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxybenzenesulfonamide?
The IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxybenzenesulfonamide (CID 65451329) is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxybenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxybenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxybenzenesulfonamide is O=S(=O)(Nc1c(Cl)ccc2nsnc12)c1ccc(O)cc1.
What is the InChIKey of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxybenzenesulfonamide?
The InChIKey is DTGSQQYUVMFHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3S2/c13-9-5-6-10-12(15-20-14-10)11(9)16-21(18,19)8-3-1-7(17)2-4-8/h1-6,16-17H.
What are the key properties of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxybenzenesulfonamide?
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxybenzenesulfonamide has a molecular weight of 341.80 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxybenzenesulfonamide is sourced from PubChem (CID 65451329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).