(3R)-1-(benzenesulfonyl)-N-benzyl-1,1-difluoro-4-methylpentan-3-amine

C19H23F2NO2S — CID 102158178

IUPAC(3R)-1-(benzenesulfonyl)-N-benzyl-1,1-difluoro-4-methylpentan-3-amine
SMILESCC(C)[C@@H](CC(F)(F)S(=O)(=O)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C19H23F2NO2S/c1-15(2)18(22-14-16-9-5-3-6-10-16)13-19(20,21)25(23,24)17-11-7-4-8-12-17/h3-12,15,18,22H,13-14H2,1-2H3/t18-/m1/s1
InChIKeyYFFCKBJIZVTFRS-GOSISDBHSA-N
MW367.46 g/mol
LogP4.26
Rot. Bonds8

About (3R)-1-(benzenesulfonyl)-N-benzyl-1,1-difluoro-4-methylpentan-3-amine

(3R)-1-(benzenesulfonyl)-N-benzyl-1,1-difluoro-4-methylpentan-3-amine (PubChem CID 102158178) has the molecular formula C19H23F2NO2S and a molecular weight of 367.46 g/mol. Its IUPAC name is (3R)-1-(benzenesulfonyl)-N-benzyl-1,1-difluoro-4-methylpentan-3-amine.

Molecular Properties

Compound Name(3R)-1-(benzenesulfonyl)-N-benzyl-1,1-difluoro-4-methylpentan-3-amine
PubChem CID102158178
Molecular FormulaC19H23F2NO2S
Molecular Weight367.46 g/mol
Exact Mass367.14
IUPAC Name(3R)-1-(benzenesulfonyl)-N-benzyl-1,1-difluoro-4-methylpentan-3-amine
SMILESCC(C)[C@@H](CC(F)(F)S(=O)(=O)c1ccccc1)NCc1ccccc1
InChIInChI=1S/C19H23F2NO2S/c1-15(2)18(22-14-16-9-5-3-6-10-16)13-19(20,21)25(23,24)17-11-7-4-8-12-17/h3-12,15,18,22H,13-14H2,1-2H3/t18-/m1/s1
InChIKeyYFFCKBJIZVTFRS-GOSISDBHSA-N
XLogP4.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(benzenesulfonyl)-N-benzyl-1,1-difluoro-4-methylpentan-3-amine?
The IUPAC name of (3R)-1-(benzenesulfonyl)-N-benzyl-1,1-difluoro-4-methylpentan-3-amine (CID 102158178) is (3R)-1-(benzenesulfonyl)-N-benzyl-1,1-difluoro-4-methylpentan-3-amine.
What is the SMILES notation for (3R)-1-(benzenesulfonyl)-N-benzyl-1,1-difluoro-4-methylpentan-3-amine?
The canonical SMILES for (3R)-1-(benzenesulfonyl)-N-benzyl-1,1-difluoro-4-methylpentan-3-amine is CC(C)[C@@H](CC(F)(F)S(=O)(=O)c1ccccc1)NCc1ccccc1.
What is the InChIKey of (3R)-1-(benzenesulfonyl)-N-benzyl-1,1-difluoro-4-methylpentan-3-amine?
The InChIKey is YFFCKBJIZVTFRS-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23F2NO2S/c1-15(2)18(22-14-16-9-5-3-6-10-16)13-19(20,21)25(23,24)17-11-7-4-8-12-17/h3-12,15,18,22H,13-14H2,1-2H3/t18-/m1/s1.
What are the key properties of (3R)-1-(benzenesulfonyl)-N-benzyl-1,1-difluoro-4-methylpentan-3-amine?
(3R)-1-(benzenesulfonyl)-N-benzyl-1,1-difluoro-4-methylpentan-3-amine has a molecular weight of 367.46 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(benzenesulfonyl)-N-benzyl-1,1-difluoro-4-methylpentan-3-amine is sourced from PubChem (CID 102158178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).