4-[(3-amino-4-methoxybutyl)amino]-N-ethylbenzenesulfonamide

C13H23N3O3S — CID 106244328

IUPAC4-[(3-amino-4-methoxybutyl)amino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCCC(N)COC)cc1
InChIInChI=1S/C13H23N3O3S/c1-3-16-20(17,18)13-6-4-12(5-7-13)15-9-8-11(14)10-19-2/h4-7,11,15-16H,3,8-10,14H2,1-2H3
InChIKeyJZZKGPLIFWFNBA-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.76
Rot. Bonds9

About 4-[(3-amino-4-methoxybutyl)amino]-N-ethylbenzenesulfonamide

4-[(3-amino-4-methoxybutyl)amino]-N-ethylbenzenesulfonamide (PubChem CID 106244328) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-[(3-amino-4-methoxybutyl)amino]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3-amino-4-methoxybutyl)amino]-N-ethylbenzenesulfonamide
PubChem CID106244328
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name4-[(3-amino-4-methoxybutyl)amino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCCC(N)COC)cc1
InChIInChI=1S/C13H23N3O3S/c1-3-16-20(17,18)13-6-4-12(5-7-13)15-9-8-11(14)10-19-2/h4-7,11,15-16H,3,8-10,14H2,1-2H3
InChIKeyJZZKGPLIFWFNBA-UHFFFAOYSA-N
XLogP0.76
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
4-[(4-amino-1-methoxybutan-2-yl)amino]-N-ethylbenzenesulfonamide
CID 106154742
4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 43591283
N-ethyl-4-(2-methoxypropylamino)benzenesulfonamide
CID 102699032
N-(3-amino-4-methoxybutyl)-3-fluorobenzenesulfonamide
CID 114163152
N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 63226786
4-(3-aminopentylamino)benzenesulfonamide
CID 113498131
4-[4-(ethylsulfamoyl)anilino]butanamide
CID 60864144
2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid
CID 79457379
4-(2-methoxyethylamino)benzenesulfonohydrazide
CID 174874042
N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide
CID 107318094
4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-methoxybutyl)amino]-N-ethylbenzenesulfonamide?
The IUPAC name of 4-[(3-amino-4-methoxybutyl)amino]-N-ethylbenzenesulfonamide (CID 106244328) is 4-[(3-amino-4-methoxybutyl)amino]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-[(3-amino-4-methoxybutyl)amino]-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-[(3-amino-4-methoxybutyl)amino]-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(NCCC(N)COC)cc1.
What is the InChIKey of 4-[(3-amino-4-methoxybutyl)amino]-N-ethylbenzenesulfonamide?
The InChIKey is JZZKGPLIFWFNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-3-16-20(17,18)13-6-4-12(5-7-13)15-9-8-11(14)10-19-2/h4-7,11,15-16H,3,8-10,14H2,1-2H3.
What are the key properties of 4-[(3-amino-4-methoxybutyl)amino]-N-ethylbenzenesulfonamide?
4-[(3-amino-4-methoxybutyl)amino]-N-ethylbenzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 0.76, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-methoxybutyl)amino]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 106244328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).