2-chloro-N-(3-chloro-5-fluorophenyl)-5-sulfanylbenzamide

C13H8Cl2FNOS — CID 107370953

IUPAC2-chloro-N-(3-chloro-5-fluorophenyl)-5-sulfanylbenzamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)c1cc(S)ccc1Cl
InChIInChI=1S/C13H8Cl2FNOS/c14-7-3-8(16)5-9(4-7)17-13(18)11-6-10(19)1-2-12(11)15/h1-6,19H,(H,17,18)
InChIKeyBBKFMXMPSZFHLI-UHFFFAOYSA-N
MW316.18 g/mol
LogP4.67
Rot. Bonds2

About 2-chloro-N-(3-chloro-5-fluorophenyl)-5-sulfanylbenzamide

2-chloro-N-(3-chloro-5-fluorophenyl)-5-sulfanylbenzamide (PubChem CID 107370953) has the molecular formula C13H8Cl2FNOS and a molecular weight of 316.18 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-5-fluorophenyl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-5-fluorophenyl)-5-sulfanylbenzamide
PubChem CID107370953
Molecular FormulaC13H8Cl2FNOS
Molecular Weight316.18 g/mol
Exact Mass314.97
IUPAC Name2-chloro-N-(3-chloro-5-fluorophenyl)-5-sulfanylbenzamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)c1cc(S)ccc1Cl
InChIInChI=1S/C13H8Cl2FNOS/c14-7-3-8(16)5-9(4-7)17-13(18)11-6-10(19)1-2-12(11)15/h1-6,19H,(H,17,18)
InChIKeyBBKFMXMPSZFHLI-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

2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide
CID 107020863
2-chloro-5-sulfanyl-N-(2,4,6-trifluorophenyl)benzamide
CID 107031496
2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide
CID 107020390
N-(3-chloro-5-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676875
N-(3-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide
CID 107724034
4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 103774690
N-(3-chloro-5-fluorophenyl)-4-hydroxy-2-methylbenzamide
CID 107671680
3-chloro-N-(3-chloro-5-fluorophenyl)-4-hydroxybenzamide
CID 107366859
N-(3-chloro-4-methylphenyl)-2-fluoro-5-sulfanylbenzamide
CID 107019764
2-chloro-N-(4-methylsulfonylphenyl)-5-sulfanylbenzamide
CID 107021766
N-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide
CID 103774980
3-amino-5-bromo-N-(3-chloro-5-fluorophenyl)-2-methylbenzamide
CID 107873288

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-5-fluorophenyl)-5-sulfanylbenzamide?
The IUPAC name of 2-chloro-N-(3-chloro-5-fluorophenyl)-5-sulfanylbenzamide (CID 107370953) is 2-chloro-N-(3-chloro-5-fluorophenyl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-5-fluorophenyl)-5-sulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(3-chloro-5-fluorophenyl)-5-sulfanylbenzamide is O=C(Nc1cc(F)cc(Cl)c1)c1cc(S)ccc1Cl.
What is the InChIKey of 2-chloro-N-(3-chloro-5-fluorophenyl)-5-sulfanylbenzamide?
The InChIKey is BBKFMXMPSZFHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNOS/c14-7-3-8(16)5-9(4-7)17-13(18)11-6-10(19)1-2-12(11)15/h1-6,19H,(H,17,18).
What are the key properties of 2-chloro-N-(3-chloro-5-fluorophenyl)-5-sulfanylbenzamide?
2-chloro-N-(3-chloro-5-fluorophenyl)-5-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 2-chloro-N-(3-chloro-5-fluorophenyl)-5-sulfanylbenzamide is sourced from PubChem (CID 107370953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).