2-(4-bromophenyl)sulfanyl-N-(3-chlorophenyl)acetamide

C14H11BrClNOS — CID 985719

IUPAC2-(4-bromophenyl)sulfanyl-N-(3-chlorophenyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H11BrClNOS/c15-10-4-6-13(7-5-10)19-9-14(18)17-12-3-1-2-11(16)8-12/h1-8H,9H2,(H,17,18)
InChIKeyFVOUVYIPAKLYKY-UHFFFAOYSA-N
MW356.67 g/mol
LogP4.83
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-N-(3-chlorophenyl)acetamide

2-(4-bromophenyl)sulfanyl-N-(3-chlorophenyl)acetamide (PubChem CID 985719) has the molecular formula C14H11BrClNOS and a molecular weight of 356.67 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(3-chlorophenyl)acetamide
PubChem CID985719
Molecular FormulaC14H11BrClNOS
Molecular Weight356.67 g/mol
Exact Mass354.94
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(3-chlorophenyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H11BrClNOS/c15-10-4-6-13(7-5-10)19-9-14(18)17-12-3-1-2-11(16)8-12/h1-8H,9H2,(H,17,18)
InChIKeyFVOUVYIPAKLYKY-UHFFFAOYSA-N
XLogP4.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-3-(phenylthio)propanamide
CID 875277
3-[(4-bromophenyl)sulfonyl]-N-(2-chlorophenyl)propanamide
CID 4109101
N-(2-bromophenyl)-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 720565
N-(4-bromophenyl)-2-((4-fluorophenyl)thio)acetamide
CID 893673
N-(2-bromophenyl)-3-[(4-chlorophenyl)sulfonyl]propanamide
CID 3420393
2-[(4-chlorophenyl)sulfanyl]-N-phenylacetamide
CID 302745
N-(3-Chloro-4-fluorophenyl)-2-((4-chlorophenyl)thio)acetamide
CID 589428
2-[(4-aminophenyl)sulfanyl]-N-(4-bromophenyl)acetamide
CID 3330652
3-[(4-chlorophenyl)sulfanyl]-N-(4-fluorophenyl)propanamide
CID 882459
N-(4-bromo-2-fluorophenyl)-2-(phenylsulfanyl)acetamide
CID 965597
3-(4-bromophenyl)sulfanyl-N-(4-fluorophenyl)propanamide
CID 2351326
N-(4-bromo-2-fluorophenyl)-2-[(4-chlorophenyl)sulfanyl]propanamide
CID 2954321

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(3-chlorophenyl)acetamide (CID 985719) is 2-(4-bromophenyl)sulfanyl-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(3-chlorophenyl)acetamide is O=C(CSc1ccc(Br)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(3-chlorophenyl)acetamide?
The InChIKey is FVOUVYIPAKLYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNOS/c15-10-4-6-13(7-5-10)19-9-14(18)17-12-3-1-2-11(16)8-12/h1-8H,9H2,(H,17,18).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(3-chlorophenyl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(3-chlorophenyl)acetamide has a molecular weight of 356.67 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 985719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).