4-[2-(methylamino)ethoxy]-N-(2-methyloxolan-3-yl)benzenesulfonamide

C14H22N2O4S — CID 106076129

IUPAC4-[2-(methylamino)ethoxy]-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCNCCOc1ccc(S(=O)(=O)NC2CCOC2C)cc1
InChIInChI=1S/C14H22N2O4S/c1-11-14(7-9-19-11)16-21(17,18)13-5-3-12(4-6-13)20-10-8-15-2/h3-6,11,14-16H,7-10H2,1-2H3
InChIKeyUYSNRDMYQSMTDG-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.74
Rot. Bonds7

About 4-[2-(methylamino)ethoxy]-N-(2-methyloxolan-3-yl)benzenesulfonamide

4-[2-(methylamino)ethoxy]-N-(2-methyloxolan-3-yl)benzenesulfonamide (PubChem CID 106076129) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[2-(methylamino)ethoxy]-N-(2-methyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(methylamino)ethoxy]-N-(2-methyloxolan-3-yl)benzenesulfonamide
PubChem CID106076129
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name4-[2-(methylamino)ethoxy]-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCNCCOc1ccc(S(=O)(=O)NC2CCOC2C)cc1
InChIInChI=1S/C14H22N2O4S/c1-11-14(7-9-19-11)16-21(17,18)13-5-3-12(4-6-13)20-10-8-15-2/h3-6,11,14-16H,7-10H2,1-2H3
InChIKeyUYSNRDMYQSMTDG-UHFFFAOYSA-N
XLogP0.74
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.74
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

4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82728733
2-(4-aminophenoxy)-N-(2-methyloxolan-3-yl)ethanesulfonamide
CID 82726329
4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076304
4-[2-(methylamino)ethoxy]-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052280
2-[4-[(2-methyloxolan-3-yl)sulfamoyl]phenyl]ethanethioamide
CID 82728260
2-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076318
4-[2-[[(2R,3S)-2-methyloxolan-3-yl]amino]ethoxy]benzonitrile
CID 97101796
N-(2-methyloxolan-3-yl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 82735971
3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076121
3-(methylamino)-N-(2-methyloxolan-3-yl)-4-nitrobenzenesulfonamide
CID 82845654
4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726698
3-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82735852

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)ethoxy]-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-[2-(methylamino)ethoxy]-N-(2-methyloxolan-3-yl)benzenesulfonamide (CID 106076129) is 4-[2-(methylamino)ethoxy]-N-(2-methyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-[2-(methylamino)ethoxy]-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-[2-(methylamino)ethoxy]-N-(2-methyloxolan-3-yl)benzenesulfonamide is CNCCOc1ccc(S(=O)(=O)NC2CCOC2C)cc1.
What is the InChIKey of 4-[2-(methylamino)ethoxy]-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The InChIKey is UYSNRDMYQSMTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-11-14(7-9-19-11)16-21(17,18)13-5-3-12(4-6-13)20-10-8-15-2/h3-6,11,14-16H,7-10H2,1-2H3.
What are the key properties of 4-[2-(methylamino)ethoxy]-N-(2-methyloxolan-3-yl)benzenesulfonamide?
4-[2-(methylamino)ethoxy]-N-(2-methyloxolan-3-yl)benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)ethoxy]-N-(2-methyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106076129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).