N-[2-(dimethylamino)-3-phenylpropyl]-2-(trifluoromethoxy)benzenesulfonamide

C18H21F3N2O3S — CID 55511769

IUPACN-[2-(dimethylamino)-3-phenylpropyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccccc1OC(F)(F)F)Cc1ccccc1
InChIInChI=1S/C18H21F3N2O3S/c1-23(2)15(12-14-8-4-3-5-9-14)13-22-27(24,25)17-11-7-6-10-16(17)26-18(19,20)21/h3-11,15,22H,12-13H2,1-2H3
InChIKeyXGXZMRTUJYWVFR-UHFFFAOYSA-N
MW402.44 g/mol
LogP3.04
Rot. Bonds8

About N-[2-(dimethylamino)-3-phenylpropyl]-2-(trifluoromethoxy)benzenesulfonamide

N-[2-(dimethylamino)-3-phenylpropyl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 55511769) has the molecular formula C18H21F3N2O3S and a molecular weight of 402.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-phenylpropyl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-phenylpropyl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID55511769
Molecular FormulaC18H21F3N2O3S
Molecular Weight402.44 g/mol
Exact Mass402.12
IUPAC NameN-[2-(dimethylamino)-3-phenylpropyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccccc1OC(F)(F)F)Cc1ccccc1
InChIInChI=1S/C18H21F3N2O3S/c1-23(2)15(12-14-8-4-3-5-9-14)13-22-27(24,25)17-11-7-6-10-16(17)26-18(19,20)21/h3-11,15,22H,12-13H2,1-2H3
InChIKeyXGXZMRTUJYWVFR-UHFFFAOYSA-N
XLogP3.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31065703
N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 63731279
N-[2-(dimethylamino)-3-phenylpropyl]-2,6-difluorobenzenesulfonamide
CID 51169617
N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 43502048
N-methoxy-2-(trifluoromethoxy)benzenesulfonamide
CID 60713586
N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 43605972
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid
CID 43242362
N-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxybenzenesulfonamide
CID 51169603
N-[2-(dimethylamino)-3-phenylpropyl]-4-propylbenzenesulfonamide
CID 55353812
propan-2-yl 2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]acetate
CID 3689825
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 99979776
4-N-cyclopropyl-1-N-[2-(dimethylamino)-3-phenylpropyl]benzene-1,4-disulfonamide
CID 55565428

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-2-(trifluoromethoxy)benzenesulfonamide (CID 55511769) is N-[2-(dimethylamino)-3-phenylpropyl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-phenylpropyl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-3-phenylpropyl]-2-(trifluoromethoxy)benzenesulfonamide is CN(C)C(CNS(=O)(=O)c1ccccc1OC(F)(F)F)Cc1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-3-phenylpropyl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is XGXZMRTUJYWVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O3S/c1-23(2)15(12-14-8-4-3-5-9-14)13-22-27(24,25)17-11-7-6-10-16(17)26-18(19,20)21/h3-11,15,22H,12-13H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)-3-phenylpropyl]-2-(trifluoromethoxy)benzenesulfonamide?
N-[2-(dimethylamino)-3-phenylpropyl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 402.44 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-phenylpropyl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 55511769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).