3-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide

C15H26N2O3S — CID 106074143

IUPAC3-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide
SMILESCCCOCCCNS(=O)(=O)c1cccc(CNCC)c1
InChIInChI=1S/C15H26N2O3S/c1-3-10-20-11-6-9-17-21(18,19)15-8-5-7-14(12-15)13-16-4-2/h5,7-8,12,16-17H,3-4,6,9-11,13H2,1-2H3
InChIKeySRHWWWLJLPFCDQ-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.89
Rot. Bonds11

About 3-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide

3-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide (PubChem CID 106074143) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide
PubChem CID106074143
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name3-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide
SMILESCCCOCCCNS(=O)(=O)c1cccc(CNCC)c1
InChIInChI=1S/C15H26N2O3S/c1-3-10-20-11-6-9-17-21(18,19)15-8-5-7-14(12-15)13-16-4-2/h5,7-8,12,16-17H,3-4,6,9-11,13H2,1-2H3
InChIKeySRHWWWLJLPFCDQ-UHFFFAOYSA-N
XLogP1.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide
CID 106074176
5-(ethylaminomethyl)-N-(3-propoxypropyl)pyridine-2-sulfonamide
CID 106074139
3-amino-4-hydroxy-N-(3-propoxypropyl)benzenesulfonamide
CID 82941344
2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide
CID 82946971
2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid
CID 82940283
N-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106080424
2-iodo-5-(3-propoxypropylsulfamoyl)benzoic acid
CID 103962665
3-(ethylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071571
2,6-difluoro-N-(3-propoxypropyl)benzenesulfonamide
CID 3851182
N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide
CID 3728268
1-(3-butoxypropyl)-2-methyl-3-[[3-(methylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111239392
N-[2-chloro-4-(3-propoxypropylsulfamoyl)phenyl]acetamide
CID 3870575

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide?
The IUPAC name of 3-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide (CID 106074143) is 3-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide.
What is the SMILES notation for 3-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide?
The canonical SMILES for 3-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide is CCCOCCCNS(=O)(=O)c1cccc(CNCC)c1.
What is the InChIKey of 3-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide?
The InChIKey is SRHWWWLJLPFCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-3-10-20-11-6-9-17-21(18,19)15-8-5-7-14(12-15)13-16-4-2/h5,7-8,12,16-17H,3-4,6,9-11,13H2,1-2H3.
What are the key properties of 3-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide?
3-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.89, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide is sourced from PubChem (CID 106074143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).