N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide

C18H24N2O2S — CID 112984765

IUPACN-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(NCCCc2ccccc2)cc1
InChIInChI=1S/C18H24N2O2S/c1-2-15-23(21,22)20-18-12-10-17(11-13-18)19-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,19-20H,2,6,9,14-15H2,1H3
InChIKeyHGVYOMPDWYKHOO-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.88
Rot. Bonds9

About N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide

N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide (PubChem CID 112984765) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide
PubChem CID112984765
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(NCCCc2ccccc2)cc1
InChIInChI=1S/C18H24N2O2S/c1-2-15-23(21,22)20-18-12-10-17(11-13-18)19-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,19-20H,2,6,9,14-15H2,1H3
InChIKeyHGVYOMPDWYKHOO-UHFFFAOYSA-N
XLogP3.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(butylamino)phenyl]-3-phenylpropane-1-sulfonamide
CID 112980309
4-ethylsulfonyl-N-(3-phenylpropyl)aniline
CID 43689628
N-[6-(butylamino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113009555
N-[4-(butylamino)phenyl]ethanesulfonamide
CID 54866263
N-[3-(4-propylphenyl)propyl]aniline
CID 90752574
N-[4-(3-phenylpropylamino)phenyl]thiophene-2-sulfonamide
CID 112984772
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide
CID 112982516
4-pentyl-N-(2-phenylethyl)aniline
CID 29284918
4-butyl-N-(2-propylsulfonylethyl)aniline
CID 106723202
2-amino-N-(4-butylphenyl)ethanesulfonamide
CID 43378477
N-(3-amino-4-methylphenyl)-3-phenylpropane-1-sulfonamide
CID 39433050
4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline
CID 83963050

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide (CID 112984765) is N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(NCCCc2ccccc2)cc1.
What is the InChIKey of N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide?
The InChIKey is HGVYOMPDWYKHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-2-15-23(21,22)20-18-12-10-17(11-13-18)19-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,19-20H,2,6,9,14-15H2,1H3.
What are the key properties of N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide?
N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide has a molecular weight of 332.47 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-phenylpropylamino)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 112984765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).