N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide

C12H20N2O4S — CID 62664941

IUPACN-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide
SMILESCCNCCNS(=O)(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C12H20N2O4S/c1-4-13-7-8-14-19(15,16)12-6-5-10(17-2)9-11(12)18-3/h5-6,9,13-14H,4,7-8H2,1-3H3
InChIKeyOYJWDCDXXYYLKQ-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.59
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide

N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide (PubChem CID 62664941) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide
PubChem CID62664941
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC NameN-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide
SMILESCCNCCNS(=O)(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C12H20N2O4S/c1-4-13-7-8-14-19(15,16)12-6-5-10(17-2)9-11(12)18-3/h5-6,9,13-14H,4,7-8H2,1-3H3
InChIKeyOYJWDCDXXYYLKQ-UHFFFAOYSA-N
XLogP0.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113102102
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
N-[2-(ethylamino)ethyl]-3,5-dimethoxybenzenesulfonamide
CID 119974003
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 17435586
5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide
CID 58807083
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
2-[2-[(2,4-dimethoxyphenyl)sulfonylamino]ethoxy]acetic acid
CID 79469582
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113101989
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
N-(3-amino-2,2-difluoropropyl)-2,4-dimethoxybenzenesulfonamide
CID 114383976
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide (CID 62664941) is N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide is CCNCCNS(=O)(=O)c1ccc(OC)cc1OC.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide?
The InChIKey is OYJWDCDXXYYLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-4-13-7-8-14-19(15,16)12-6-5-10(17-2)9-11(12)18-3/h5-6,9,13-14H,4,7-8H2,1-3H3.
What are the key properties of N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide?
N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 62664941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).