N-[3-[4-(dimethylamino)phenyl]propyl]-1-(2-fluorophenyl)methanesulfonamide

C18H23FN2O2S — CID 16890884

IUPACN-[3-[4-(dimethylamino)phenyl]propyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESCN(C)c1ccc(CCCNS(=O)(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C18H23FN2O2S/c1-21(2)17-11-9-15(10-12-17)6-5-13-20-24(22,23)14-16-7-3-4-8-18(16)19/h3-4,7-12,20H,5-6,13-14H2,1-2H3
InChIKeyDLVFTHJSYNAXEI-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.94
Rot. Bonds8

About N-[3-[4-(dimethylamino)phenyl]propyl]-1-(2-fluorophenyl)methanesulfonamide

N-[3-[4-(dimethylamino)phenyl]propyl]-1-(2-fluorophenyl)methanesulfonamide (PubChem CID 16890884) has the molecular formula C18H23FN2O2S and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]propyl]-1-(2-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]propyl]-1-(2-fluorophenyl)methanesulfonamide
PubChem CID16890884
Molecular FormulaC18H23FN2O2S
Molecular Weight350.46 g/mol
Exact Mass350.15
IUPAC NameN-[3-[4-(dimethylamino)phenyl]propyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESCN(C)c1ccc(CCCNS(=O)(=O)Cc2ccccc2F)cc1
InChIInChI=1S/C18H23FN2O2S/c1-21(2)17-11-9-15(10-12-17)6-5-13-20-24(22,23)14-16-7-3-4-8-18(16)19/h3-4,7-12,20H,5-6,13-14H2,1-2H3
InChIKeyDLVFTHJSYNAXEI-UHFFFAOYSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-1-(2-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-1-(2-fluorophenyl)methanesulfonamide (CID 16890884) is N-[3-[4-(dimethylamino)phenyl]propyl]-1-(2-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]propyl]-1-(2-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]propyl]-1-(2-fluorophenyl)methanesulfonamide is CN(C)c1ccc(CCCNS(=O)(=O)Cc2ccccc2F)cc1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]propyl]-1-(2-fluorophenyl)methanesulfonamide?
The InChIKey is DLVFTHJSYNAXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2S/c1-21(2)17-11-9-15(10-12-17)6-5-13-20-24(22,23)14-16-7-3-4-8-18(16)19/h3-4,7-12,20H,5-6,13-14H2,1-2H3.
What are the key properties of N-[3-[4-(dimethylamino)phenyl]propyl]-1-(2-fluorophenyl)methanesulfonamide?
N-[3-[4-(dimethylamino)phenyl]propyl]-1-(2-fluorophenyl)methanesulfonamide has a molecular weight of 350.46 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]propyl]-1-(2-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 16890884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).