4-bromo-N-(3-chloro-4-fluorophenyl)-2-sulfanylbenzamide

C13H8BrClFNOS — CID 107021994

IUPAC4-bromo-N-(3-chloro-4-fluorophenyl)-2-sulfanylbenzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(Br)cc1S
InChIInChI=1S/C13H8BrClFNOS/c14-7-1-3-9(12(19)5-7)13(18)17-8-2-4-11(16)10(15)6-8/h1-6,19H,(H,17,18)
InChIKeyUQKBFSQUPKJQBM-UHFFFAOYSA-N
MW360.64 g/mol
LogP4.78
Rot. Bonds2

About 4-bromo-N-(3-chloro-4-fluorophenyl)-2-sulfanylbenzamide

4-bromo-N-(3-chloro-4-fluorophenyl)-2-sulfanylbenzamide (PubChem CID 107021994) has the molecular formula C13H8BrClFNOS and a molecular weight of 360.64 g/mol. Its IUPAC name is 4-bromo-N-(3-chloro-4-fluorophenyl)-2-sulfanylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-chloro-4-fluorophenyl)-2-sulfanylbenzamide
PubChem CID107021994
Molecular FormulaC13H8BrClFNOS
Molecular Weight360.64 g/mol
Exact Mass358.92
IUPAC Name4-bromo-N-(3-chloro-4-fluorophenyl)-2-sulfanylbenzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(Br)cc1S
InChIInChI=1S/C13H8BrClFNOS/c14-7-1-3-9(12(19)5-7)13(18)17-8-2-4-11(16)10(15)6-8/h1-6,19H,(H,17,18)
InChIKeyUQKBFSQUPKJQBM-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 54.78
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

2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 885992
N-(4-bromo-3-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 100533267
N-(4-amino-3-chlorophenyl)-4-bromo-2-fluorobenzamide
CID 82861279
2,4-dibromo-N-(4-bromo-3-chlorophenyl)benzamide
CID 114018393
3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
CID 789113
N-(4-bromo-3-chlorophenyl)-5-chloro-2-fluorobenzamide
CID 107619744
4-bromo-2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 63935703
5-bromo-N-(4-chloro-3-hydroxyphenyl)-2-fluorobenzamide
CID 64786910
4-chloro-N-(3-chloro-4-fluorophenyl)-3-sulfanylbenzamide
CID 167246589
[4-bromo-2-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl] N,N-diethylcarbamate
CID 2804735
N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-chloro-4-fluorophenyl)-2-sulfanylbenzamide?
The IUPAC name of 4-bromo-N-(3-chloro-4-fluorophenyl)-2-sulfanylbenzamide (CID 107021994) is 4-bromo-N-(3-chloro-4-fluorophenyl)-2-sulfanylbenzamide.
What is the SMILES notation for 4-bromo-N-(3-chloro-4-fluorophenyl)-2-sulfanylbenzamide?
The canonical SMILES for 4-bromo-N-(3-chloro-4-fluorophenyl)-2-sulfanylbenzamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Br)cc1S.
What is the InChIKey of 4-bromo-N-(3-chloro-4-fluorophenyl)-2-sulfanylbenzamide?
The InChIKey is UQKBFSQUPKJQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNOS/c14-7-1-3-9(12(19)5-7)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-bromo-N-(3-chloro-4-fluorophenyl)-2-sulfanylbenzamide?
4-bromo-N-(3-chloro-4-fluorophenyl)-2-sulfanylbenzamide has a molecular weight of 360.64 g/mol, XLogP of 4.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-chloro-4-fluorophenyl)-2-sulfanylbenzamide is sourced from PubChem (CID 107021994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).