N-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide

C14H10Cl2FNOS — CID 589428

IUPACN-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H10Cl2FNOS/c15-9-1-4-11(5-2-9)20-8-14(19)18-10-3-6-13(17)12(16)7-10/h1-7H,8H2,(H,18,19)
InChIKeyIVSONCCKUMTPBT-UHFFFAOYSA-N
MW330.21 g/mol
LogP4.86
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide

N-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 589428) has the molecular formula C14H10Cl2FNOS and a molecular weight of 330.21 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID589428
Molecular FormulaC14H10Cl2FNOS
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H10Cl2FNOS/c15-9-1-4-11(5-2-9)20-8-14(19)18-10-3-6-13(17)12(16)7-10/h1-7H,8H2,(H,18,19)
InChIKeyIVSONCCKUMTPBT-UHFFFAOYSA-N
XLogP4.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(2-((4-chlorophenyl)sulfanyl)phenyl)acetamide
CID 2384590
N1-(3-chloro-4-fluorophenyl)-2-(methylthio)acetamide
CID 2806035
4-Acetamido-4'-chlorodiphenyl sulfone
CID 246667
N-(2-chlorophenyl)-2-[(3-chlorophenyl)sulfinyl]acetamide
CID 4358481
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 15994795
N-(4-chlorophenyl)-2-(phenylsulfonyl)acetamide
CID 892271
2-(2-(3-Chloro-4-fluorophenylamino)-2-oxoethylthio)acetic acid
CID 710279
Acetamide, N-(4-fluorophenyl)-2-phenylthio-
CID 532041
Phenylthioacetamide, N-(2-fluorophenyl)-
CID 532867
2-({2-[(4-chlorophenyl)sulfonyl]ethyl}thio)-N-phenylacetamide
CID 2819429
2-[(4-chlorophenyl)sulfanyl]-N-phenylacetamide
CID 302745
2-[(4-bromophenyl)sulfanyl]-N-(3-chlorophenyl)acetamide
CID 985719

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide (CID 589428) is N-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide is O=C(CSc1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is IVSONCCKUMTPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNOS/c15-9-1-4-11(5-2-9)20-8-14(19)18-10-3-6-13(17)12(16)7-10/h1-7H,8H2,(H,18,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide?
N-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 330.21 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 589428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).