2-(4-bromophenyl)sulfanyl-N-[4-(difluoromethyl)phenyl]acetamide

C15H12BrF2NOS — CID 4671676

IUPAC2-(4-bromophenyl)sulfanyl-N-[4-(difluoromethyl)phenyl]acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1ccc(C(F)F)cc1
InChIInChI=1S/C15H12BrF2NOS/c16-11-3-7-13(8-4-11)21-9-14(20)19-12-5-1-10(2-6-12)15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyDQRTXVXYUHIKFF-UHFFFAOYSA-N
MW372.23 g/mol
LogP5.12
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-N-[4-(difluoromethyl)phenyl]acetamide

2-(4-bromophenyl)sulfanyl-N-[4-(difluoromethyl)phenyl]acetamide (PubChem CID 4671676) has the molecular formula C15H12BrF2NOS and a molecular weight of 372.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-[4-(difluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-[4-(difluoromethyl)phenyl]acetamide
PubChem CID4671676
Molecular FormulaC15H12BrF2NOS
Molecular Weight372.23 g/mol
Exact Mass370.98
IUPAC Name2-(4-bromophenyl)sulfanyl-N-[4-(difluoromethyl)phenyl]acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1ccc(C(F)F)cc1
InChIInChI=1S/C15H12BrF2NOS/c16-11-3-7-13(8-4-11)21-9-14(20)19-12-5-1-10(2-6-12)15(17)18/h1-8,15H,9H2,(H,19,20)
InChIKeyDQRTXVXYUHIKFF-UHFFFAOYSA-N
XLogP5.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.23
LogP ≤ 55.12
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-[4-(difluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[4-(difluoromethyl)phenyl]acetamide (CID 4671676) is 2-(4-bromophenyl)sulfanyl-N-[4-(difluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-[4-(difluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-[4-(difluoromethyl)phenyl]acetamide is O=C(CSc1ccc(Br)cc1)Nc1ccc(C(F)F)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-[4-(difluoromethyl)phenyl]acetamide?
The InChIKey is DQRTXVXYUHIKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NOS/c16-11-3-7-13(8-4-11)21-9-14(20)19-12-5-1-10(2-6-12)15(17)18/h1-8,15H,9H2,(H,19,20).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-[4-(difluoromethyl)phenyl]acetamide?
2-(4-bromophenyl)sulfanyl-N-[4-(difluoromethyl)phenyl]acetamide has a molecular weight of 372.23 g/mol, XLogP of 5.12, 5 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-[4-(difluoromethyl)phenyl]acetamide is sourced from PubChem (CID 4671676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).