N-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide

C12H20N2O3S — CID 11000205

IUPACN-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
SMILESCCN(C)CCNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H20N2O3S/c1-4-14(2)10-9-13-18(15,16)12-7-5-11(17-3)6-8-12/h5-8,13H,4,9-10H2,1-3H3
InChIKeyRJBXLLVHOSIWAL-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.93
Rot. Bonds7

About N-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide

N-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide (PubChem CID 11000205) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
PubChem CID11000205
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
SMILESCCN(C)CCNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H20N2O3S/c1-4-14(2)10-9-13-18(15,16)12-7-5-11(17-3)6-8-12/h5-8,13H,4,9-10H2,1-3H3
InChIKeyRJBXLLVHOSIWAL-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 10540463
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide
CID 11140694
4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62640211
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 113065648
N-[3-(dimethylamino)propyl]-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113053818
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
N-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113052187
4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide
CID 15895607
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
4-methoxy-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide
CID 113065291

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide (CID 11000205) is N-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide is CCN(C)CCNS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is RJBXLLVHOSIWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-14(2)10-9-13-18(15,16)12-7-5-11(17-3)6-8-12/h5-8,13H,4,9-10H2,1-3H3.
What are the key properties of N-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide?
N-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 11000205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).