N-(4-bromophenyl)-2,2,2-trifluoroethanesulfinamide

C8H7BrF3NOS — CID 142167091

IUPACN-(4-bromophenyl)-2,2,2-trifluoroethanesulfinamide
SMILESO=S(CC(F)(F)F)Nc1ccc(Br)cc1
InChIInChI=1S/C8H7BrF3NOS/c9-6-1-3-7(4-2-6)13-15(14)5-8(10,11)12/h1-4,13H,5H2
InChIKeyVJUQFHFGKBFPKG-UHFFFAOYSA-N
MW302.12 g/mol
LogP3.09
Rot. Bonds3

About N-(4-bromophenyl)-2,2,2-trifluoroethanesulfinamide

N-(4-bromophenyl)-2,2,2-trifluoroethanesulfinamide (PubChem CID 142167091) has the molecular formula C8H7BrF3NOS and a molecular weight of 302.12 g/mol. Its IUPAC name is N-(4-bromophenyl)-2,2,2-trifluoroethanesulfinamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2,2,2-trifluoroethanesulfinamide
PubChem CID142167091
Molecular FormulaC8H7BrF3NOS
Molecular Weight302.12 g/mol
Exact Mass300.94
IUPAC NameN-(4-bromophenyl)-2,2,2-trifluoroethanesulfinamide
SMILESO=S(CC(F)(F)F)Nc1ccc(Br)cc1
InChIInChI=1S/C8H7BrF3NOS/c9-6-1-3-7(4-2-6)13-15(14)5-8(10,11)12/h1-4,13H,5H2
InChIKeyVJUQFHFGKBFPKG-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2,2,2-trifluoroethanesulfinamide?
The IUPAC name of N-(4-bromophenyl)-2,2,2-trifluoroethanesulfinamide (CID 142167091) is N-(4-bromophenyl)-2,2,2-trifluoroethanesulfinamide.
What is the SMILES notation for N-(4-bromophenyl)-2,2,2-trifluoroethanesulfinamide?
The canonical SMILES for N-(4-bromophenyl)-2,2,2-trifluoroethanesulfinamide is O=S(CC(F)(F)F)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2,2,2-trifluoroethanesulfinamide?
The InChIKey is VJUQFHFGKBFPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NOS/c9-6-1-3-7(4-2-6)13-15(14)5-8(10,11)12/h1-4,13H,5H2.
What are the key properties of N-(4-bromophenyl)-2,2,2-trifluoroethanesulfinamide?
N-(4-bromophenyl)-2,2,2-trifluoroethanesulfinamide has a molecular weight of 302.12 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2,2,2-trifluoroethanesulfinamide is sourced from PubChem (CID 142167091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).