N-[2-[(R)-amino(phenyl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide

C14H13F3N2O2S — CID 138970368

IUPACN-[2-[(R)-amino(phenyl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESN[C@H](c1ccccc1)c1ccccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H13F3N2O2S/c15-14(16,17)22(20,21)19-12-9-5-4-8-11(12)13(18)10-6-2-1-3-7-10/h1-9,13,19H,18H2/t13-/m1/s1
InChIKeySKPYKGBJELNZKV-CYBMUJFWSA-N
MW330.33 g/mol
LogP3.00
Rot. Bonds4

About N-[2-[(R)-amino(phenyl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide

N-[2-[(R)-amino(phenyl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 138970368) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is N-[2-[(R)-amino(phenyl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(R)-amino(phenyl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID138970368
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC NameN-[2-[(R)-amino(phenyl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESN[C@H](c1ccccc1)c1ccccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H13F3N2O2S/c15-14(16,17)22(20,21)19-12-9-5-4-8-11(12)13(18)10-6-2-1-3-7-10/h1-9,13,19H,18H2/t13-/m1/s1
InChIKeySKPYKGBJELNZKV-CYBMUJFWSA-N
XLogP3.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(R)-amino(phenyl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[2-[(R)-amino(phenyl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide (CID 138970368) is N-[2-[(R)-amino(phenyl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[2-[(R)-amino(phenyl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[2-[(R)-amino(phenyl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide is N[C@H](c1ccccc1)c1ccccc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[2-[(R)-amino(phenyl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is SKPYKGBJELNZKV-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c15-14(16,17)22(20,21)19-12-9-5-4-8-11(12)13(18)10-6-2-1-3-7-10/h1-9,13,19H,18H2/t13-/m1/s1.
What are the key properties of N-[2-[(R)-amino(phenyl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
N-[2-[(R)-amino(phenyl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 330.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(R)-amino(phenyl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 138970368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).