N-(4-bromo-2-chlorophenyl)-2-(4-hydroxyphenyl)sulfanylacetamide

C14H11BrClNO2S — CID 47263024

IUPACN-(4-bromo-2-chlorophenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(O)cc1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C14H11BrClNO2S/c15-9-1-6-13(12(16)7-9)17-14(19)8-20-11-4-2-10(18)3-5-11/h1-7,18H,8H2,(H,17,19)
InChIKeyRYVKBZBUJMMBME-UHFFFAOYSA-N
MW372.67 g/mol
LogP4.54
Rot. Bonds4

About N-(4-bromo-2-chlorophenyl)-2-(4-hydroxyphenyl)sulfanylacetamide

N-(4-bromo-2-chlorophenyl)-2-(4-hydroxyphenyl)sulfanylacetamide (PubChem CID 47263024) has the molecular formula C14H11BrClNO2S and a molecular weight of 372.67 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-(4-hydroxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
PubChem CID47263024
Molecular FormulaC14H11BrClNO2S
Molecular Weight372.67 g/mol
Exact Mass370.94
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(O)cc1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C14H11BrClNO2S/c15-9-1-6-13(12(16)7-9)17-14(19)8-20-11-4-2-10(18)3-5-11/h1-7,18H,8H2,(H,17,19)
InChIKeyRYVKBZBUJMMBME-UHFFFAOYSA-N
XLogP4.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.67
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 24571050
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CID 1304646
N-(4-bromo-2-chlorophenyl)-2-tert-butylsulfanylacetamide
CID 78780727
N-(4-bromo-2-chlorophenyl)-2-hydroxyacetamide
CID 43558842
N-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528206
N-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 2294415
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide
CID 43304005
N-(4-bromo-2-chlorophenyl)-2-(4-bromophenyl)acetamide
CID 7924446
2-(4-tert-butylphenyl)sulfanyl-N-(2,4-dichlorophenyl)acetamide
CID 5197742
2-(4-bromophenyl)sulfanyl-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 5140284
2-(2-amino-3-methylphenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide
CID 79130949
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromo-2-chlorophenyl)acetamide
CID 43249969

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(4-hydroxyphenyl)sulfanylacetamide (CID 47263024) is N-(4-bromo-2-chlorophenyl)-2-(4-hydroxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-(4-hydroxyphenyl)sulfanylacetamide is O=C(CSc1ccc(O)cc1)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
The InChIKey is RYVKBZBUJMMBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO2S/c15-9-1-6-13(12(16)7-9)17-14(19)8-20-11-4-2-10(18)3-5-11/h1-7,18H,8H2,(H,17,19).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
N-(4-bromo-2-chlorophenyl)-2-(4-hydroxyphenyl)sulfanylacetamide has a molecular weight of 372.67 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-(4-hydroxyphenyl)sulfanylacetamide is sourced from PubChem (CID 47263024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).