N-[(1R)-1-(4-phenylphenyl)-2-propylhex-2-enyl]-4-(trifluoromethyl)benzenesulfonamide

C28H30F3NO2S — CID 6636148

IUPACN-[(1R)-1-(4-phenylphenyl)-2-propylhex-2-enyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCCCC=C(CCC)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H30F3NO2S/c1-3-5-10-23(9-4-2)27(24-15-13-22(14-16-24)21-11-7-6-8-12-21)32-35(33,34)26-19-17-25(18-20-26)28(29,30)31/h6-8,10-20,27,32H,3-5,9H2,1-2H3/t27-/m1/s1
InChIKeyQWJMXURFUSFTNV-HHHXNRCGSA-N
MW501.61 g/mol
LogP7.92
Rot. Bonds10

About N-[(1R)-1-(4-phenylphenyl)-2-propylhex-2-enyl]-4-(trifluoromethyl)benzenesulfonamide

N-[(1R)-1-(4-phenylphenyl)-2-propylhex-2-enyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 6636148) has the molecular formula C28H30F3NO2S and a molecular weight of 501.61 g/mol. Its IUPAC name is N-[(1R)-1-(4-phenylphenyl)-2-propylhex-2-enyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-phenylphenyl)-2-propylhex-2-enyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID6636148
Molecular FormulaC28H30F3NO2S
Molecular Weight501.61 g/mol
Exact Mass501.19
IUPAC NameN-[(1R)-1-(4-phenylphenyl)-2-propylhex-2-enyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCCCC=C(CCC)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H30F3NO2S/c1-3-5-10-23(9-4-2)27(24-15-13-22(14-16-24)21-11-7-6-8-12-21)32-35(33,34)26-19-17-25(18-20-26)28(29,30)31/h6-8,10-20,27,32H,3-5,9H2,1-2H3/t27-/m1/s1
InChIKeyQWJMXURFUSFTNV-HHHXNRCGSA-N
XLogP7.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.61
LogP ≤ 57.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(1R)-2-propyl-1-[[3-(trifluoromethyl)phenyl]sulfonylamino]hex-2-enyl]benzoate
CID 6636135
N-[(E,1R)-2-propyl-1-[4-(trifluoromethyl)phenyl]hex-2-enyl]-4-(trifluoromethyl)benzamide
CID 44592653
ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate
CID 3703536
ethyl 2-[(4-tert-butylphenyl)sulfonylamino]-2-phenylacetate
CID 5009964
4-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]-2-trimethylsilylbuta-2,3-dienyl]benzenesulfonamide
CID 164685083
3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 43091494
ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoate
CID 46596027
N-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3856881
4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide
CID 171777388
ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67891408
N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]propane-2-sulfonamide
CID 10643804
3-methoxy-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 81086028

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-phenylphenyl)-2-propylhex-2-enyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(1R)-1-(4-phenylphenyl)-2-propylhex-2-enyl]-4-(trifluoromethyl)benzenesulfonamide (CID 6636148) is N-[(1R)-1-(4-phenylphenyl)-2-propylhex-2-enyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-(4-phenylphenyl)-2-propylhex-2-enyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(1R)-1-(4-phenylphenyl)-2-propylhex-2-enyl]-4-(trifluoromethyl)benzenesulfonamide is CCCC=C(CCC)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-phenylphenyl)-2-propylhex-2-enyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QWJMXURFUSFTNV-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H30F3NO2S/c1-3-5-10-23(9-4-2)27(24-15-13-22(14-16-24)21-11-7-6-8-12-21)32-35(33,34)26-19-17-25(18-20-26)28(29,30)31/h6-8,10-20,27,32H,3-5,9H2,1-2H3/t27-/m1/s1.
What are the key properties of N-[(1R)-1-(4-phenylphenyl)-2-propylhex-2-enyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[(1R)-1-(4-phenylphenyl)-2-propylhex-2-enyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 501.61 g/mol, XLogP of 7.92, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-phenylphenyl)-2-propylhex-2-enyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 6636148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).