N-[(1S)-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide

C22H17F6NO2S — CID 163444652

IUPACN-[(1S)-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(N[C@@H](Cc1ccccc1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H17F6NO2S/c23-21(24,25)17-12-18(22(26,27)28)14-19(13-17)32(30,31)29-20(16-9-5-2-6-10-16)11-15-7-3-1-4-8-15/h1-10,12-14,20,29H,11H2/t20-/m0/s1
InChIKeyBBMBNRUBUYBBTF-FQEVSTJZSA-N
MW473.44 g/mol
LogP5.99
Rot. Bonds6

About N-[(1S)-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide

N-[(1S)-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 163444652) has the molecular formula C22H17F6NO2S and a molecular weight of 473.44 g/mol. Its IUPAC name is N-[(1S)-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
PubChem CID163444652
Molecular FormulaC22H17F6NO2S
Molecular Weight473.44 g/mol
Exact Mass473.09
IUPAC NameN-[(1S)-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(N[C@@H](Cc1ccccc1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H17F6NO2S/c23-21(24,25)17-12-18(22(26,27)28)14-19(13-17)32(30,31)29-20(16-9-5-2-6-10-16)11-15-7-3-1-4-8-15/h1-10,12-14,20,29H,11H2/t20-/m0/s1
InChIKeyBBMBNRUBUYBBTF-FQEVSTJZSA-N
XLogP5.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.44
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-amino-3-methyl-1,1-diphenylpentan-2-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 177493441
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 8844992
[2-(dimethylsulfamoylamino)-2-phenylethyl]benzene
CID 42955151
N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 46557664
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenylethyl]benzenesulfonamide
CID 56728493
N-(2-amino-1,2-diphenylethyl)-1-[3,5-bis(trifluoromethyl)phenyl]methanesulfonamide
CID 59537598
methyl (E)-3-[3-(1,2-diphenylethylsulfamoyl)phenyl]prop-2-enoate
CID 67019546
N-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2804037
N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3312193
(2S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 94860847
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
1,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712825

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(1S)-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide (CID 163444652) is N-[(1S)-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(1S)-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(1S)-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide is O=S(=O)(N[C@@H](Cc1ccccc1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[(1S)-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is BBMBNRUBUYBBTF-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H17F6NO2S/c23-21(24,25)17-12-18(22(26,27)28)14-19(13-17)32(30,31)29-20(16-9-5-2-6-10-16)11-15-7-3-1-4-8-15/h1-10,12-14,20,29H,11H2/t20-/m0/s1.
What are the key properties of N-[(1S)-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
N-[(1S)-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 473.44 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2-diphenylethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 163444652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).