N-[2-(dimethylamino)-3-phenylpropyl]-2,6-difluorobenzenesulfonamide

C17H20F2N2O2S — CID 51169617

IUPACN-[2-(dimethylamino)-3-phenylpropyl]-2,6-difluorobenzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1c(F)cccc1F)Cc1ccccc1
InChIInChI=1S/C17H20F2N2O2S/c1-21(2)14(11-13-7-4-3-5-8-13)12-20-24(22,23)17-15(18)9-6-10-16(17)19/h3-10,14,20H,11-12H2,1-2H3
InChIKeyKQHNFZMXAPBPDC-UHFFFAOYSA-N
MW354.42 g/mol
LogP2.42
Rot. Bonds7

About N-[2-(dimethylamino)-3-phenylpropyl]-2,6-difluorobenzenesulfonamide

N-[2-(dimethylamino)-3-phenylpropyl]-2,6-difluorobenzenesulfonamide (PubChem CID 51169617) has the molecular formula C17H20F2N2O2S and a molecular weight of 354.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-phenylpropyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-phenylpropyl]-2,6-difluorobenzenesulfonamide
PubChem CID51169617
Molecular FormulaC17H20F2N2O2S
Molecular Weight354.42 g/mol
Exact Mass354.12
IUPAC NameN-[2-(dimethylamino)-3-phenylpropyl]-2,6-difluorobenzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1c(F)cccc1F)Cc1ccccc1
InChIInChI=1S/C17H20F2N2O2S/c1-21(2)14(11-13-7-4-3-5-8-13)12-20-24(22,23)17-15(18)9-6-10-16(17)19/h3-10,14,20H,11-12H2,1-2H3
InChIKeyKQHNFZMXAPBPDC-UHFFFAOYSA-N
XLogP2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-3-phenylpropyl]-4-propylbenzenesulfonamide
CID 55353812
4-N-cyclopropyl-1-N-[2-(dimethylamino)-3-phenylpropyl]benzene-1,4-disulfonamide
CID 55565428
N-[2-(dimethylamino)-3-phenylpropyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 55511769
N-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxybenzenesulfonamide
CID 51169603
(2S)-N-[2-(dimethylamino)-3-phenylpropyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 55934836
5-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-1-methylimidazole-4-sulfonamide
CID 134035705
(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)-3-phenylpropyl]ethenesulfonamide
CID 55353883
2,6-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3847681
N-[2-(diethylamino)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 46403128
2-fluoro-N-[(2R)-2-hydroxypropyl]-6-phenylbenzenesulfonamide
CID 90320120
2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63012952
N,N-dimethyl-1-phenylbutan-2-amine
CID 14527584

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-2,6-difluorobenzenesulfonamide (CID 51169617) is N-[2-(dimethylamino)-3-phenylpropyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-phenylpropyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-3-phenylpropyl]-2,6-difluorobenzenesulfonamide is CN(C)C(CNS(=O)(=O)c1c(F)cccc1F)Cc1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-3-phenylpropyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is KQHNFZMXAPBPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2S/c1-21(2)14(11-13-7-4-3-5-8-13)12-20-24(22,23)17-15(18)9-6-10-16(17)19/h3-10,14,20H,11-12H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)-3-phenylpropyl]-2,6-difluorobenzenesulfonamide?
N-[2-(dimethylamino)-3-phenylpropyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 354.42 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-phenylpropyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 51169617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).