N-[(5-bromo-2-fluorophenyl)methyl]-2-methylpropane-2-sulfinamide

C11H15BrFNOS — CID 170447294

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNOS/c1-11(2,3)16(15)14-7-8-6-9(12)4-5-10(8)13/h4-6,14H,7H2,1-3H3
InChIKeyFETFJCTYTKTDIT-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.14
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-2-methylpropane-2-sulfinamide

N-[(5-bromo-2-fluorophenyl)methyl]-2-methylpropane-2-sulfinamide (PubChem CID 170447294) has the molecular formula C11H15BrFNOS and a molecular weight of 308.22 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-2-methylpropane-2-sulfinamide
PubChem CID170447294
Molecular FormulaC11H15BrFNOS
Molecular Weight308.22 g/mol
Exact Mass307.00
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNOS/c1-11(2,3)16(15)14-7-8-6-9(12)4-5-10(8)13/h4-6,14H,7H2,1-3H3
InChIKeyFETFJCTYTKTDIT-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzenemethanamine, 3-bromo-
CID 457587
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CID 4825019
5-Bromo-2-fluorobenzylamine hydrochloride
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N-benzyl-2-bromo-4-fluorobenzenesulfonamide
CID 16060325
4-bromo-N-(4-fluorobenzyl)benzenesulfonamide
CID 2169357
1-(3-Bromo-4-fluorophenyl)methanamine hydrochloride
CID 2724901
(3-Bromo-4-fluorophenyl)methanamine
CID 2724902
N-((3-bromophenyl)methyl)methanesulfonamide
CID 6464358
(3-Bromo-2-fluorophenyl)methanamine
CID 12084140
(3-Bromo-5-fluorophenyl)methanamine hydrochloride
CID 44717343
(R)-1-(5-Bromo-2-fluorophenyl)ethanamine hydrochloride
CID 126530683

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2-methylpropane-2-sulfinamide (CID 170447294) is N-[(5-bromo-2-fluorophenyl)methyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-2-methylpropane-2-sulfinamide?
The InChIKey is FETFJCTYTKTDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNOS/c1-11(2,3)16(15)14-7-8-6-9(12)4-5-10(8)13/h4-6,14H,7H2,1-3H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-2-methylpropane-2-sulfinamide?
N-[(5-bromo-2-fluorophenyl)methyl]-2-methylpropane-2-sulfinamide has a molecular weight of 308.22 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 170447294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).