N-[3-[4-(dimethylamino)phenyl]propyl]-4-ethylbenzenesulfonamide

C19H26N2O2S — CID 16890812

IUPACN-[3-[4-(dimethylamino)phenyl]propyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H26N2O2S/c1-4-16-9-13-19(14-10-16)24(22,23)20-15-5-6-17-7-11-18(12-8-17)21(2)3/h7-14,20H,4-6,15H2,1-3H3
InChIKeyAPBFBVNCMNRTCT-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.23
Rot. Bonds8

About N-[3-[4-(dimethylamino)phenyl]propyl]-4-ethylbenzenesulfonamide

N-[3-[4-(dimethylamino)phenyl]propyl]-4-ethylbenzenesulfonamide (PubChem CID 16890812) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]propyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]propyl]-4-ethylbenzenesulfonamide
PubChem CID16890812
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-[3-[4-(dimethylamino)phenyl]propyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H26N2O2S/c1-4-16-9-13-19(14-10-16)24(22,23)20-15-5-6-17-7-11-18(12-8-17)21(2)3/h7-14,20H,4-6,15H2,1-3H3
InChIKeyAPBFBVNCMNRTCT-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.23
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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Related Compounds

N-[3-[4-(dimethylamino)phenyl]propyl]-4-fluoro-3-methylbenzenesulfonamide
CID 16890857
4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
CID 16890429
3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]-4-methoxybenzenesulfonamide
CID 16890872
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide
CID 16890478
N-(3-aminopropyl)-4-ethylbenzenesulfonamide
CID 28754062
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 19681719
4-ethyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzenesulfonamide
CID 16890979
N-[3-[4-(dimethylamino)phenyl]propyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 34122986
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
[(1R)-1-[4-(dimethylamino)phenyl]-2-[(4-ethylphenyl)sulfonylamino]ethyl]-dimethylazanium
CID 7497827
4-(3-aminopropyl)-N-butylbenzenesulfonamide
CID 28807103

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-4-ethylbenzenesulfonamide (CID 16890812) is N-[3-[4-(dimethylamino)phenyl]propyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]propyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]propyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NCCCc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]propyl]-4-ethylbenzenesulfonamide?
The InChIKey is APBFBVNCMNRTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-4-16-9-13-19(14-10-16)24(22,23)20-15-5-6-17-7-11-18(12-8-17)21(2)3/h7-14,20H,4-6,15H2,1-3H3.
What are the key properties of N-[3-[4-(dimethylamino)phenyl]propyl]-4-ethylbenzenesulfonamide?
N-[3-[4-(dimethylamino)phenyl]propyl]-4-ethylbenzenesulfonamide has a molecular weight of 346.50 g/mol, XLogP of 3.23, 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]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 16890812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).