5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide

C17H22N2O3S — CID 10382246

IUPAC5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(CC(C)NCc2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C17H22N2O3S/c1-13(19-12-14-6-4-3-5-7-14)10-15-8-9-16(22-2)17(11-15)23(18,20)21/h3-9,11,13,19H,10,12H2,1-2H3,(H2,18,20,21)
InChIKeyZPLOZZPRIIITTL-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.06
Rot. Bonds7

About 5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide

5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide (PubChem CID 10382246) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide
PubChem CID10382246
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(CC(C)NCc2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C17H22N2O3S/c1-13(19-12-14-6-4-3-5-7-14)10-15-8-9-16(22-2)17(11-15)23(18,20)21/h3-9,11,13,19H,10,12H2,1-2H3,(H2,18,20,21)
InChIKeyZPLOZZPRIIITTL-UHFFFAOYSA-N
XLogP2.06
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide
CID 96869335
2-methoxy-5-[2-(1-phenylethylamino)propyl]benzenesulfonamide
CID 14179760
benzyl N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
CID 170556242
benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
CID 175508345
[5-[(2R)-2-(benzylamino)propyl]-2-methoxyphenyl]-oxomethanesulfonamide
CID 91345314
5-[(2R)-2-[2-(2-fluorophenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
CID 70876190
5-[(2R)-2-[(2-ethoxyphenyl)methoxymethylamino]propyl]-2-methoxybenzenesulfonamide
CID 118527249
N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
CID 14099978
5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;hydron;chloride
CID 74393239
5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;oxalic acid
CID 25009120
[2-[2-[[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]amino]ethoxy]phenyl] hydrogen sulfate
CID 154731599
5-[(2R)-2-[[(R)-tert-butylsulfinyl]amino]propyl]-2-methoxybenzenesulfonamide
CID 25268876

Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide (CID 10382246) is 5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide is COc1ccc(CC(C)NCc2ccccc2)cc1S(N)(=O)=O.
What is the InChIKey of 5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide?
The InChIKey is ZPLOZZPRIIITTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-13(19-12-14-6-4-3-5-7-14)10-15-8-9-16(22-2)17(11-15)23(18,20)21/h3-9,11,13,19H,10,12H2,1-2H3,(H2,18,20,21).
What are the key properties of 5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide?
5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 10382246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).