3-chloro-4-iodo-N-(thiatriazol-5-yl)benzamide

C8H4ClIN4OS — CID 103222246

IUPAC3-chloro-4-iodo-N-(thiatriazol-5-yl)benzamide
SMILESO=C(Nc1nnns1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C8H4ClIN4OS/c9-5-3-4(1-2-6(5)10)7(15)11-8-12-13-14-16-8/h1-3H,(H,11,12,14,15)
InChIKeyUSHKNVXWAZVOAD-UHFFFAOYSA-N
MW366.57 g/mol
LogP2.44
Rot. Bonds2

About 3-chloro-4-iodo-N-(thiatriazol-5-yl)benzamide

3-chloro-4-iodo-N-(thiatriazol-5-yl)benzamide (PubChem CID 103222246) has the molecular formula C8H4ClIN4OS and a molecular weight of 366.57 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-(thiatriazol-5-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-(thiatriazol-5-yl)benzamide
PubChem CID103222246
Molecular FormulaC8H4ClIN4OS
Molecular Weight366.57 g/mol
Exact Mass365.88
IUPAC Name3-chloro-4-iodo-N-(thiatriazol-5-yl)benzamide
SMILESO=C(Nc1nnns1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C8H4ClIN4OS/c9-5-3-4(1-2-6(5)10)7(15)11-8-12-13-14-16-8/h1-3H,(H,11,12,14,15)
InChIKeyUSHKNVXWAZVOAD-UHFFFAOYSA-N
XLogP2.44
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-chloro-N-(thiatriazol-5-yl)benzamide
CID 114912794
3-chloro-4-nitro-N-(thiatriazol-5-yl)benzamide
CID 114912099
4-tert-butyl-N-(thiatriazol-5-yl)benzamide
CID 19114244
3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 103220934
3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide
CID 103221386
5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide
CID 114912771
2-fluoro-N-(thiatriazol-5-yl)pyridine-4-carboxamide
CID 114912096
4-bromo-N-(thiatriazol-5-yl)-3-(trifluoromethyl)benzamide
CID 114912769
4-nitro-N-(thiatriazol-5-yl)benzamide
CID 19114267
6-(thiatriazol-5-ylcarbamoyl)pyridine-3-carboxylic acid
CID 114913629
4-chloro-N-(thiatriazol-5-yl)pyridine-3-carboxamide
CID 114912098
2-(aminomethyl)-N-(thiatriazol-5-yl)pyridine-4-carboxamide
CID 114912577

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-(thiatriazol-5-yl)benzamide?
The IUPAC name of 3-chloro-4-iodo-N-(thiatriazol-5-yl)benzamide (CID 103222246) is 3-chloro-4-iodo-N-(thiatriazol-5-yl)benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-(thiatriazol-5-yl)benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-(thiatriazol-5-yl)benzamide is O=C(Nc1nnns1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-(thiatriazol-5-yl)benzamide?
The InChIKey is USHKNVXWAZVOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClIN4OS/c9-5-3-4(1-2-6(5)10)7(15)11-8-12-13-14-16-8/h1-3H,(H,11,12,14,15).
What are the key properties of 3-chloro-4-iodo-N-(thiatriazol-5-yl)benzamide?
3-chloro-4-iodo-N-(thiatriazol-5-yl)benzamide has a molecular weight of 366.57 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-(thiatriazol-5-yl)benzamide is sourced from PubChem (CID 103222246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).