(4R)-4-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpentane-2-sulfinamide

C12H16BrClFNOS — CID 153295523

IUPAC(4R)-4-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpentane-2-sulfinamide
SMILESC[C@H](CC(C)(C)S(N)=O)c1ccc(Br)c(F)c1Cl
InChIInChI=1S/C12H16BrClFNOS/c1-7(6-12(2,3)18(16)17)8-4-5-9(13)11(15)10(8)14/h4-5,7H,6,16H2,1-3H3/t7-,18?/m1/s1
InChIKeyMCWFSXIBKCGXAL-XNQUEAFESA-N
MW356.69 g/mol
LogP4.14
Rot. Bonds4

About (4R)-4-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpentane-2-sulfinamide

(4R)-4-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpentane-2-sulfinamide (PubChem CID 153295523) has the molecular formula C12H16BrClFNOS and a molecular weight of 356.69 g/mol. Its IUPAC name is (4R)-4-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpentane-2-sulfinamide.

Molecular Properties

Compound Name(4R)-4-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpentane-2-sulfinamide
PubChem CID153295523
Molecular FormulaC12H16BrClFNOS
Molecular Weight356.69 g/mol
Exact Mass354.98
IUPAC Name(4R)-4-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpentane-2-sulfinamide
SMILESC[C@H](CC(C)(C)S(N)=O)c1ccc(Br)c(F)c1Cl
InChIInChI=1S/C12H16BrClFNOS/c1-7(6-12(2,3)18(16)17)8-4-5-9(13)11(15)10(8)14/h4-5,7H,6,16H2,1-3H3/t7-,18?/m1/s1
InChIKeyMCWFSXIBKCGXAL-XNQUEAFESA-N
XLogP4.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.69
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpentane-2-sulfinamide?
The IUPAC name of (4R)-4-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpentane-2-sulfinamide (CID 153295523) is (4R)-4-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpentane-2-sulfinamide.
What is the SMILES notation for (4R)-4-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpentane-2-sulfinamide?
The canonical SMILES for (4R)-4-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpentane-2-sulfinamide is C[C@H](CC(C)(C)S(N)=O)c1ccc(Br)c(F)c1Cl.
What is the InChIKey of (4R)-4-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpentane-2-sulfinamide?
The InChIKey is MCWFSXIBKCGXAL-XNQUEAFESA-N. The full InChI is InChI=1S/C12H16BrClFNOS/c1-7(6-12(2,3)18(16)17)8-4-5-9(13)11(15)10(8)14/h4-5,7H,6,16H2,1-3H3/t7-,18?/m1/s1.
What are the key properties of (4R)-4-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpentane-2-sulfinamide?
(4R)-4-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpentane-2-sulfinamide has a molecular weight of 356.69 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpentane-2-sulfinamide is sourced from PubChem (CID 153295523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).