N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide

C16H20N2O2S — CID 119973884

IUPACN-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide
SMILESCCNCCNS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H20N2O2S/c1-2-17-12-13-18-21(19,20)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,17-18H,2,12-13H2,1H3
InChIKeyXZYLFGKKIXGNHB-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.24
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide

N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide (PubChem CID 119973884) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide
PubChem CID119973884
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide
SMILESCCNCCNS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H20N2O2S/c1-2-17-12-13-18-21(19,20)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,17-18H,2,12-13H2,1H3
InChIKeyXZYLFGKKIXGNHB-UHFFFAOYSA-N
XLogP2.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.24
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-pentyl-4-phenylbenzenesulfonamide
CID 3666440
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-(2-chloroethyl)-4-phenylbenzenesulfonamide
CID 162435603
1-N-[2-(ethylamino)ethyl]-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119973745
N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119973798
4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973417
N-(4-aminobutyl)-4-phenylbenzenesulfonamide
CID 11601917
N-[2-(benzenesulfonamido)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 166199176
N-[2-(ethylamino)ethyl]-4-propoxybenzenesulfonamide
CID 55100491
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide
CID 62664046
4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 62665534
N-[2-(ethylamino)ethyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide
CID 119973962

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide (CID 119973884) is N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide is CCNCCNS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide?
The InChIKey is XZYLFGKKIXGNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-2-17-12-13-18-21(19,20)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,17-18H,2,12-13H2,1H3.
What are the key properties of N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide?
N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 119973884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).