4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide

C13H8Cl2FNOS — CID 167246589

IUPAC4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(Cl)c(S)c1
InChIInChI=1S/C13H8Cl2FNOS/c14-9-3-1-7(5-12(9)19)13(18)17-8-2-4-11(16)10(15)6-8/h1-6,19H,(H,17,18)
InChIKeyICXQAPAQVADQTI-UHFFFAOYSA-N
MW316.18 g/mol
LogP4.67
Rot. Bonds2

About 4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide

4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide (PubChem CID 167246589) has the molecular formula C13H8Cl2FNOS and a molecular weight of 316.18 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide
PubChem CID167246589
Molecular FormulaC13H8Cl2FNOS
Molecular Weight316.18 g/mol
Exact Mass314.97
IUPAC Name4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(Cl)c(S)c1
InChIInChI=1S/C13H8Cl2FNOS/c14-9-3-1-7(5-12(9)19)13(18)17-8-2-4-11(16)10(15)6-8/h1-6,19H,(H,17,18)
InChIKeyICXQAPAQVADQTI-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
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4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
CID 63187581
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
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N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
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CID 110691150

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide?
The IUPAC name of 4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide (CID 167246589) is 4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide?
The canonical SMILES for 4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Cl)c(S)c1.
What is the InChIKey of 4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide?
The InChIKey is ICXQAPAQVADQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNOS/c14-9-3-1-7(5-12(9)19)13(18)17-8-2-4-11(16)10(15)6-8/h1-6,19H,(H,17,18).
What are the key properties of 4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide?
4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide has a molecular weight of 316.18 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide is sourced from PubChem (CID 167246589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).