N-(2-ethoxyethyl)-5-(ethylaminomethyl)-2-methoxybenzenesulfonamide

C14H24N2O4S — CID 106019817

IUPACN-(2-ethoxyethyl)-5-(ethylaminomethyl)-2-methoxybenzenesulfonamide
SMILESCCNCc1ccc(OC)c(S(=O)(=O)NCCOCC)c1
InChIInChI=1S/C14H24N2O4S/c1-4-15-11-12-6-7-13(19-3)14(10-12)21(17,18)16-8-9-20-5-2/h6-7,10,15-16H,4-5,8-9,11H2,1-3H3
InChIKeyRHQSGTQYNUFZPN-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.12
Rot. Bonds10

About N-(2-ethoxyethyl)-5-(ethylaminomethyl)-2-methoxybenzenesulfonamide

N-(2-ethoxyethyl)-5-(ethylaminomethyl)-2-methoxybenzenesulfonamide (PubChem CID 106019817) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-5-(ethylaminomethyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-5-(ethylaminomethyl)-2-methoxybenzenesulfonamide
PubChem CID106019817
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC NameN-(2-ethoxyethyl)-5-(ethylaminomethyl)-2-methoxybenzenesulfonamide
SMILESCCNCc1ccc(OC)c(S(=O)(=O)NCCOCC)c1
InChIInChI=1S/C14H24N2O4S/c1-4-15-11-12-6-7-13(19-3)14(10-12)21(17,18)16-8-9-20-5-2/h6-7,10,15-16H,4-5,8-9,11H2,1-3H3
InChIKeyRHQSGTQYNUFZPN-UHFFFAOYSA-N
XLogP1.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.12
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

5-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide
CID 106074842
N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide
CID 106019677
2-bromo-N-(2-ethoxyethyl)-5-(methylaminomethyl)benzenesulfonamide
CID 106019809
4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102704782
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-fluorobenzenesulfonamide
CID 106019464
5-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081210
2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 106059211
2,4-dichloro-N-(2-ethoxyethyl)-3-(ethylaminomethyl)benzenesulfonamide
CID 106019442
N-(3-ethoxypropyl)-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373708
N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide
CID 47104251
4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide
CID 106074924
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-5-(ethylaminomethyl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-5-(ethylaminomethyl)-2-methoxybenzenesulfonamide (CID 106019817) is N-(2-ethoxyethyl)-5-(ethylaminomethyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-5-(ethylaminomethyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-5-(ethylaminomethyl)-2-methoxybenzenesulfonamide is CCNCc1ccc(OC)c(S(=O)(=O)NCCOCC)c1.
What is the InChIKey of N-(2-ethoxyethyl)-5-(ethylaminomethyl)-2-methoxybenzenesulfonamide?
The InChIKey is RHQSGTQYNUFZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-4-15-11-12-6-7-13(19-3)14(10-12)21(17,18)16-8-9-20-5-2/h6-7,10,15-16H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-5-(ethylaminomethyl)-2-methoxybenzenesulfonamide?
N-(2-ethoxyethyl)-5-(ethylaminomethyl)-2-methoxybenzenesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.12, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-5-(ethylaminomethyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 106019817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).