4-amino-N-ethyl-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide

C12H20N2O4S — CID 61444696

IUPAC4-amino-N-ethyl-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
SMILESCCN(CCOC)S(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C12H20N2O4S/c1-4-14(7-8-17-2)19(15,16)12-6-5-10(13)9-11(12)18-3/h5-6,9H,4,7-8,13H2,1-3H3
InChIKeyMPZZSLOTBAADTQ-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.93
Rot. Bonds7

About 4-amino-N-ethyl-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide

4-amino-N-ethyl-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 61444696) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-amino-N-ethyl-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID61444696
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name4-amino-N-ethyl-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
SMILESCCN(CCOC)S(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C12H20N2O4S/c1-4-14(7-8-17-2)19(15,16)12-6-5-10(13)9-11(12)18-3/h5-6,9H,4,7-8,13H2,1-3H3
InChIKeyMPZZSLOTBAADTQ-UHFFFAOYSA-N
XLogP0.93
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 55135939
6-amino-N-ethyl-N-(2-methoxyethyl)-1H-indole-3-sulfonamide
CID 66000340
2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61444697
4-ethylsulfonyl-3-methoxyaniline
CID 81207779
4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
CID 3046698
4-amino-2-chloro-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63696287
methyl 3-amino-4-[ethyl(2-methoxyethyl)sulfamoyl]benzoate
CID 61444348
4-chloro-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 54879156
1-N-ethyl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-disulfonamide
CID 61384433
4-amino-N-butan-2-yl-N-butyl-2-methoxybenzenesulfonamide
CID 61111653
4-[[ethyl(2-methoxyethyl)amino]methyl]-3-methoxyaniline
CID 107208306
5-amino-N-ethyl-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 54879902

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide (CID 61444696) is 4-amino-N-ethyl-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide is CCN(CCOC)S(=O)(=O)c1ccc(N)cc1OC.
What is the InChIKey of 4-amino-N-ethyl-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is MPZZSLOTBAADTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-4-14(7-8-17-2)19(15,16)12-6-5-10(13)9-11(12)18-3/h5-6,9H,4,7-8,13H2,1-3H3.
What are the key properties of 4-amino-N-ethyl-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide?
4-amino-N-ethyl-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 61444696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).