2-(4-bromophenyl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide

C11H12BrF2NO2S — CID 104858278

IUPAC2-(4-bromophenyl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)NCC(F)(F)CO
InChIInChI=1S/C11H12BrF2NO2S/c12-8-1-3-9(4-2-8)18-5-10(17)15-6-11(13,14)7-16/h1-4,16H,5-7H2,(H,15,17)
InChIKeyCQDPDKPMBBRJKG-UHFFFAOYSA-N
MW340.19 g/mol
LogP2.29
Rot. Bonds6

About 2-(4-bromophenyl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide

2-(4-bromophenyl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide (PubChem CID 104858278) has the molecular formula C11H12BrF2NO2S and a molecular weight of 340.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
PubChem CID104858278
Molecular FormulaC11H12BrF2NO2S
Molecular Weight340.19 g/mol
Exact Mass338.97
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)NCC(F)(F)CO
InChIInChI=1S/C11H12BrF2NO2S/c12-8-1-3-9(4-2-8)18-5-10(17)15-6-11(13,14)7-16/h1-4,16H,5-7H2,(H,15,17)
InChIKeyCQDPDKPMBBRJKG-UHFFFAOYSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78760679
2-(4-bromophenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390574
3-(4-bromophenyl)-N-(2,2-difluoro-3-hydroxypropyl)butanamide
CID 104857295
2-(4-bromophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide
CID 66176868
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 113462669
2-(4-bromophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 26570912
3-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-hydroxypropanamide
CID 106165984
2-(4-bromophenyl)sulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712702
2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 51321713
(E)-3-(4-bromophenyl)-N-(2,2-difluoro-3-hydroxypropyl)prop-2-enamide
CID 113462676
2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79031085
2-(4-bromophenyl)sulfanyl-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 5140284

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide (CID 104858278) is 2-(4-bromophenyl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide is O=C(CSc1ccc(Br)cc1)NCC(F)(F)CO.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
The InChIKey is CQDPDKPMBBRJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO2S/c12-8-1-3-9(4-2-8)18-5-10(17)15-6-11(13,14)7-16/h1-4,16H,5-7H2,(H,15,17).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide has a molecular weight of 340.19 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide is sourced from PubChem (CID 104858278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).