4-chloro-2-fluoro-N-(thiadiazol-5-yl)benzamide

C9H5ClFN3OS — CID 99789672

IUPAC4-chloro-2-fluoro-N-(thiadiazol-5-yl)benzamide
SMILESO=C(Nc1cnns1)c1ccc(Cl)cc1F
InChIInChI=1S/C9H5ClFN3OS/c10-5-1-2-6(7(11)3-5)9(15)13-8-4-12-14-16-8/h1-4H,(H,13,15)
InChIKeyDKHGJAGZTZFEEA-UHFFFAOYSA-N
MW257.68 g/mol
LogP2.58
Rot. Bonds2

About 4-chloro-2-fluoro-N-(thiadiazol-5-yl)benzamide

4-chloro-2-fluoro-N-(thiadiazol-5-yl)benzamide (PubChem CID 99789672) has the molecular formula C9H5ClFN3OS and a molecular weight of 257.68 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(thiadiazol-5-yl)benzamide
PubChem CID99789672
Molecular FormulaC9H5ClFN3OS
Molecular Weight257.68 g/mol
Exact Mass256.98
IUPAC Name4-chloro-2-fluoro-N-(thiadiazol-5-yl)benzamide
SMILESO=C(Nc1cnns1)c1ccc(Cl)cc1F
InChIInChI=1S/C9H5ClFN3OS/c10-5-1-2-6(7(11)3-5)9(15)13-8-4-12-14-16-8/h1-4H,(H,13,15)
InChIKeyDKHGJAGZTZFEEA-UHFFFAOYSA-N
XLogP2.58
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-fluoro-N-(thiadiazol-5-yl)benzamide
CID 114912759
5-amino-2-chloro-N-(thiadiazol-5-yl)benzamide
CID 114911491
4-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide
CID 103282577
2,4-dibromo-N-(thiadiazol-5-yl)benzamide
CID 103282575
2,3-difluoro-N-(thiadiazol-5-yl)pyridine-4-carboxamide
CID 105381676
5-(3-aminoprop-1-ynyl)-2-fluoro-N-(thiadiazol-5-yl)benzamide
CID 114913806
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
4-hydroxy-N-(thiadiazol-5-yl)benzamide
CID 114912827
2-(4-chlorophenyl)-N-(thiadiazol-5-yl)acetamide
CID 166219432
4-chloro-2-fluoro-N-(5-methyl-2-pyridinyl)benzamide
CID 26028133
2-(3,4-difluorophenyl)-N-(thiadiazol-5-yl)acetamide
CID 99833270
1-(4-fluorophenyl)-3-(thiadiazol-5-yl)urea
CID 11379409

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(thiadiazol-5-yl)benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-(thiadiazol-5-yl)benzamide (CID 99789672) is 4-chloro-2-fluoro-N-(thiadiazol-5-yl)benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(thiadiazol-5-yl)benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(thiadiazol-5-yl)benzamide is O=C(Nc1cnns1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-(thiadiazol-5-yl)benzamide?
The InChIKey is DKHGJAGZTZFEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFN3OS/c10-5-1-2-6(7(11)3-5)9(15)13-8-4-12-14-16-8/h1-4H,(H,13,15).
What are the key properties of 4-chloro-2-fluoro-N-(thiadiazol-5-yl)benzamide?
4-chloro-2-fluoro-N-(thiadiazol-5-yl)benzamide has a molecular weight of 257.68 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(thiadiazol-5-yl)benzamide is sourced from PubChem (CID 99789672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).