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

C13H7ClFN3OS2 — CID 107031240

IUPACN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluoro-5-sulfanylbenzamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)c1cc(S)ccc1F
InChIInChI=1S/C13H7ClFN3OS2/c14-8-2-4-10-12(18-21-17-10)11(8)16-13(19)7-5-6(20)1-3-9(7)15/h1-5,20H,(H,16,19)
InChIKeyBDXKRLWPIDLFND-UHFFFAOYSA-N
MW339.80 g/mol
LogP4.02
Rot. Bonds2

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

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluoro-5-sulfanylbenzamide (PubChem CID 107031240) has the molecular formula C13H7ClFN3OS2 and a molecular weight of 339.80 g/mol. Its IUPAC name is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluoro-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluoro-5-sulfanylbenzamide
PubChem CID107031240
Molecular FormulaC13H7ClFN3OS2
Molecular Weight339.80 g/mol
Exact Mass338.97
IUPAC NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluoro-5-sulfanylbenzamide
SMILESO=C(Nc1c(Cl)ccc2nsnc12)c1cc(S)ccc1F
InChIInChI=1S/C13H7ClFN3OS2/c14-8-2-4-10-12(18-21-17-10)11(8)16-13(19)7-5-6(20)1-3-9(7)15/h1-5,20H,(H,16,19)
InChIKeyBDXKRLWPIDLFND-UHFFFAOYSA-N
XLogP4.02
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluoro-5-sulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluorobenzamide
CID 65475931
2,5-dichloro-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)benzamide
CID 17274617
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoro-2-hydroxybenzamide
CID 115299138
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide
CID 6471882
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-fluoropyridine-3-carboxamide
CID 86782684
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
CID 2994664
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3,4-dihydroxybenzamide
CID 136904601
2-chloro-5-sulfanyl-N-(2,4,6-trifluorophenyl)benzamide
CID 107031496
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-3-sulfanylidenepropanamide
CID 65476115
5-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
CID 65473609
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 17335846
6-bromo-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyridine-3-carboxamide
CID 66464939

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluoro-5-sulfanylbenzamide?
The IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluoro-5-sulfanylbenzamide (CID 107031240) is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluoro-5-sulfanylbenzamide.
What is the SMILES notation for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluoro-5-sulfanylbenzamide?
The canonical SMILES for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluoro-5-sulfanylbenzamide is O=C(Nc1c(Cl)ccc2nsnc12)c1cc(S)ccc1F.
What is the InChIKey of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluoro-5-sulfanylbenzamide?
The InChIKey is BDXKRLWPIDLFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN3OS2/c14-8-2-4-10-12(18-21-17-10)11(8)16-13(19)7-5-6(20)1-3-9(7)15/h1-5,20H,(H,16,19).
What are the key properties of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluoro-5-sulfanylbenzamide?
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluoro-5-sulfanylbenzamide has a molecular weight of 339.80 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluoro-5-sulfanylbenzamide is sourced from PubChem (CID 107031240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).