2-chloro-5-sulfanyl-N-(2,4,6-trifluorophenyl)benzamide

C13H7ClF3NOS — CID 107031496

IUPAC2-chloro-5-sulfanyl-N-(2,4,6-trifluorophenyl)benzamide
SMILESO=C(Nc1c(F)cc(F)cc1F)c1cc(S)ccc1Cl
InChIInChI=1S/C13H7ClF3NOS/c14-9-2-1-7(20)5-8(9)13(19)18-12-10(16)3-6(15)4-11(12)17/h1-5,20H,(H,18,19)
InChIKeyLMLXZAXRCAQMSF-UHFFFAOYSA-N
MW317.72 g/mol
LogP4.30
Rot. Bonds2

About 2-chloro-5-sulfanyl-N-(2,4,6-trifluorophenyl)benzamide

2-chloro-5-sulfanyl-N-(2,4,6-trifluorophenyl)benzamide (PubChem CID 107031496) has the molecular formula C13H7ClF3NOS and a molecular weight of 317.72 g/mol. Its IUPAC name is 2-chloro-5-sulfanyl-N-(2,4,6-trifluorophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-sulfanyl-N-(2,4,6-trifluorophenyl)benzamide
PubChem CID107031496
Molecular FormulaC13H7ClF3NOS
Molecular Weight317.72 g/mol
Exact Mass316.99
IUPAC Name2-chloro-5-sulfanyl-N-(2,4,6-trifluorophenyl)benzamide
SMILESO=C(Nc1c(F)cc(F)cc1F)c1cc(S)ccc1Cl
InChIInChI=1S/C13H7ClF3NOS/c14-9-2-1-7(20)5-8(9)13(19)18-12-10(16)3-6(15)4-11(12)17/h1-5,20H,(H,18,19)
InChIKeyLMLXZAXRCAQMSF-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.72
LogP ≤ 54.30
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

2-chloro-N-(3-chloro-5-fluorophenyl)-5-sulfanylbenzamide
CID 107370953
2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide
CID 107020863
2-chloro-5-formamido-N-(2,4,6-trifluorophenyl)benzamide
CID 166842286
5-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 83080978
2-chloro-N-(2,5-difluoro-4-methylphenyl)-5-sulfanylbenzamide
CID 107037172
N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide
CID 82890016
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-fluoro-5-sulfanylbenzamide
CID 107031240
N-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide
CID 107033057
2-chloro-N-(2-fluoroethyl)-5-sulfanylbenzamide
CID 130505013
2-bromo-5-sulfanyl-N-(2,3,5-trifluorophenyl)benzamide
CID 107028638
N-(2-chloro-5-cyanophenyl)-2-fluoro-5-sulfanylbenzamide
CID 107032756
N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide
CID 107019764

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-sulfanyl-N-(2,4,6-trifluorophenyl)benzamide?
The IUPAC name of 2-chloro-5-sulfanyl-N-(2,4,6-trifluorophenyl)benzamide (CID 107031496) is 2-chloro-5-sulfanyl-N-(2,4,6-trifluorophenyl)benzamide.
What is the SMILES notation for 2-chloro-5-sulfanyl-N-(2,4,6-trifluorophenyl)benzamide?
The canonical SMILES for 2-chloro-5-sulfanyl-N-(2,4,6-trifluorophenyl)benzamide is O=C(Nc1c(F)cc(F)cc1F)c1cc(S)ccc1Cl.
What is the InChIKey of 2-chloro-5-sulfanyl-N-(2,4,6-trifluorophenyl)benzamide?
The InChIKey is LMLXZAXRCAQMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3NOS/c14-9-2-1-7(20)5-8(9)13(19)18-12-10(16)3-6(15)4-11(12)17/h1-5,20H,(H,18,19).
What are the key properties of 2-chloro-5-sulfanyl-N-(2,4,6-trifluorophenyl)benzamide?
2-chloro-5-sulfanyl-N-(2,4,6-trifluorophenyl)benzamide has a molecular weight of 317.72 g/mol, XLogP of 4.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-sulfanyl-N-(2,4,6-trifluorophenyl)benzamide is sourced from PubChem (CID 107031496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).