2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide

C14H10BrF2NOS — CID 981509

IUPAC2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1cc(F)ccc1F
InChIInChI=1S/C14H10BrF2NOS/c15-9-1-4-11(5-2-9)20-8-14(19)18-13-7-10(16)3-6-12(13)17/h1-7H,8H2,(H,18,19)
InChIKeyOURMXUBPVDQJSK-UHFFFAOYSA-N
MW358.21 g/mol
LogP4.46
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide

2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide (PubChem CID 981509) has the molecular formula C14H10BrF2NOS and a molecular weight of 358.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide
PubChem CID981509
Molecular FormulaC14H10BrF2NOS
Molecular Weight358.21 g/mol
Exact Mass356.96
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1cc(F)ccc1F
InChIInChI=1S/C14H10BrF2NOS/c15-9-1-4-11(5-2-9)20-8-14(19)18-13-7-10(16)3-6-12(13)17/h1-7H,8H2,(H,18,19)
InChIKeyOURMXUBPVDQJSK-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.21
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide (CID 981509) is 2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide is O=C(CSc1ccc(Br)cc1)Nc1cc(F)ccc1F.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide?
The InChIKey is OURMXUBPVDQJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NOS/c15-9-1-4-11(5-2-9)20-8-14(19)18-13-7-10(16)3-6-12(13)17/h1-7H,8H2,(H,18,19).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide has a molecular weight of 358.21 g/mol, XLogP of 4.46, 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-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 981509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).