N-[2-(4-bromo-2-fluorophenyl)cyclobutyl]-2-methylpropane-2-sulfinamide

C14H19BrFNOS — CID 171803415

IUPACN-[2-(4-bromo-2-fluorophenyl)cyclobutyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1CCC1c1ccc(Br)cc1F
InChIInChI=1S/C14H19BrFNOS/c1-14(2,3)19(18)17-13-7-6-11(13)10-5-4-9(15)8-12(10)16/h4-5,8,11,13,17H,6-7H2,1-3H3
InChIKeyRAVFYUBDXVREFV-UHFFFAOYSA-N
MW348.28 g/mol
LogP3.89
Rot. Bonds3

About N-[2-(4-bromo-2-fluorophenyl)cyclobutyl]-2-methylpropane-2-sulfinamide

N-[2-(4-bromo-2-fluorophenyl)cyclobutyl]-2-methylpropane-2-sulfinamide (PubChem CID 171803415) has the molecular formula C14H19BrFNOS and a molecular weight of 348.28 g/mol. Its IUPAC name is N-[2-(4-bromo-2-fluorophenyl)cyclobutyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-fluorophenyl)cyclobutyl]-2-methylpropane-2-sulfinamide
PubChem CID171803415
Molecular FormulaC14H19BrFNOS
Molecular Weight348.28 g/mol
Exact Mass347.04
IUPAC NameN-[2-(4-bromo-2-fluorophenyl)cyclobutyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1CCC1c1ccc(Br)cc1F
InChIInChI=1S/C14H19BrFNOS/c1-14(2,3)19(18)17-13-7-6-11(13)10-5-4-9(15)8-12(10)16/h4-5,8,11,13,17H,6-7H2,1-3H3
InChIKeyRAVFYUBDXVREFV-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-fluorophenyl)cyclobutyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[2-(4-bromo-2-fluorophenyl)cyclobutyl]-2-methylpropane-2-sulfinamide (CID 171803415) is N-[2-(4-bromo-2-fluorophenyl)cyclobutyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[2-(4-bromo-2-fluorophenyl)cyclobutyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[2-(4-bromo-2-fluorophenyl)cyclobutyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC1CCC1c1ccc(Br)cc1F.
What is the InChIKey of N-[2-(4-bromo-2-fluorophenyl)cyclobutyl]-2-methylpropane-2-sulfinamide?
The InChIKey is RAVFYUBDXVREFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNOS/c1-14(2,3)19(18)17-13-7-6-11(13)10-5-4-9(15)8-12(10)16/h4-5,8,11,13,17H,6-7H2,1-3H3.
What are the key properties of N-[2-(4-bromo-2-fluorophenyl)cyclobutyl]-2-methylpropane-2-sulfinamide?
N-[2-(4-bromo-2-fluorophenyl)cyclobutyl]-2-methylpropane-2-sulfinamide has a molecular weight of 348.28 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-fluorophenyl)cyclobutyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 171803415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).