4-ethoxy-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide

C15H26N2O5S2 — CID 113065559

IUPAC4-ethoxy-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCN(CC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H26N2O5S2/c1-5-22-14-6-8-15(9-7-14)24(20,21)16-10-11-17(12-13(2)3)23(4,18)19/h6-9,13,16H,5,10-12H2,1-4H3
InChIKeyXIENBXDAAXUEEY-UHFFFAOYSA-N
MW378.52 g/mol
LogP1.28
Rot. Bonds10

About 4-ethoxy-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide

4-ethoxy-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide (PubChem CID 113065559) has the molecular formula C15H26N2O5S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
PubChem CID113065559
Molecular FormulaC15H26N2O5S2
Molecular Weight378.52 g/mol
Exact Mass378.13
IUPAC Name4-ethoxy-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCN(CC(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C15H26N2O5S2/c1-5-22-14-6-8-15(9-7-14)24(20,21)16-10-11-17(12-13(2)3)23(4,18)19/h6-9,13,16H,5,10-12H2,1-4H3
InChIKeyXIENBXDAAXUEEY-UHFFFAOYSA-N
XLogP1.28
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-ethoxybenzenesulfonamide
CID 113068111
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
N-[3-(dimethylamino)propyl]-4-ethoxybenzenesulfonamide
CID 4790143
3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide
CID 78843826
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 3245216
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 113065648
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide
CID 7938232
N-(3-aminobutyl)-4-(3-methylbutoxy)benzenesulfonamide
CID 119972668
4-methoxy-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide
CID 113065291

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide (CID 113065559) is 4-ethoxy-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCN(CC(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide?
The InChIKey is XIENBXDAAXUEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5S2/c1-5-22-14-6-8-15(9-7-14)24(20,21)16-10-11-17(12-13(2)3)23(4,18)19/h6-9,13,16H,5,10-12H2,1-4H3.
What are the key properties of 4-ethoxy-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide?
4-ethoxy-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide has a molecular weight of 378.52 g/mol, XLogP of 1.28, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 113065559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).