N-[3-(4-cyanophenoxy)propyl]-4-methylbenzenesulfonamide

C17H18N2O3S — CID 177415345

IUPACN-[3-(4-cyanophenoxy)propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCOc2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H18N2O3S/c1-14-3-9-17(10-4-14)23(20,21)19-11-2-12-22-16-7-5-15(13-18)6-8-16/h3-10,19H,2,11-12H2,1H3
InChIKeyZEJOOVMUXHYNNB-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.61
Rot. Bonds7

About N-[3-(4-cyanophenoxy)propyl]-4-methylbenzenesulfonamide

N-[3-(4-cyanophenoxy)propyl]-4-methylbenzenesulfonamide (PubChem CID 177415345) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[3-(4-cyanophenoxy)propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-cyanophenoxy)propyl]-4-methylbenzenesulfonamide
PubChem CID177415345
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[3-(4-cyanophenoxy)propyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCOc2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H18N2O3S/c1-14-3-9-17(10-4-14)23(20,21)19-11-2-12-22-16-7-5-15(13-18)6-8-16/h3-10,19H,2,11-12H2,1H3
InChIKeyZEJOOVMUXHYNNB-UHFFFAOYSA-N
XLogP2.61
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(4-cyanophenoxy)propyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylphenoxy)ethyl 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 7679281
N-(3-chloropropyl)-4-cyanobenzenesulfonamide
CID 43133775
N-butyl-4-cyanobenzenesulfonamide
CID 3555489
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide
CID 2604521
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-cyano-N-[1-hydroxy-5-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzamide
CID 172880315
4-methyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 26543228
4-cyano-N-pent-4-ynylbenzenesulfonamide
CID 103698045
4-[3-(methylamino)propoxy]-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 106063766
4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide
CID 106058279

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyanophenoxy)propyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(4-cyanophenoxy)propyl]-4-methylbenzenesulfonamide (CID 177415345) is N-[3-(4-cyanophenoxy)propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(4-cyanophenoxy)propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(4-cyanophenoxy)propyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCOc2ccc(C#N)cc2)cc1.
What is the InChIKey of N-[3-(4-cyanophenoxy)propyl]-4-methylbenzenesulfonamide?
The InChIKey is ZEJOOVMUXHYNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-14-3-9-17(10-4-14)23(20,21)19-11-2-12-22-16-7-5-15(13-18)6-8-16/h3-10,19H,2,11-12H2,1H3.
What are the key properties of N-[3-(4-cyanophenoxy)propyl]-4-methylbenzenesulfonamide?
N-[3-(4-cyanophenoxy)propyl]-4-methylbenzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyanophenoxy)propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 177415345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).