N-(1-ethoxypropan-2-yl)-2-methoxy-5-(methylaminomethyl)benzenesulfonamide

C14H24N2O4S — CID 106054326

IUPACN-(1-ethoxypropan-2-yl)-2-methoxy-5-(methylaminomethyl)benzenesulfonamide
SMILESCCOCC(C)NS(=O)(=O)c1cc(CNC)ccc1OC
InChIInChI=1S/C14H24N2O4S/c1-5-20-10-11(2)16-21(17,18)14-8-12(9-15-3)6-7-13(14)19-4/h6-8,11,15-16H,5,9-10H2,1-4H3
InChIKeyRJDSWKQZWHOKHB-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.12
Rot. Bonds9

About N-(1-ethoxypropan-2-yl)-2-methoxy-5-(methylaminomethyl)benzenesulfonamide

N-(1-ethoxypropan-2-yl)-2-methoxy-5-(methylaminomethyl)benzenesulfonamide (PubChem CID 106054326) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-2-methoxy-5-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-2-methoxy-5-(methylaminomethyl)benzenesulfonamide
PubChem CID106054326
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC NameN-(1-ethoxypropan-2-yl)-2-methoxy-5-(methylaminomethyl)benzenesulfonamide
SMILESCCOCC(C)NS(=O)(=O)c1cc(CNC)ccc1OC
InChIInChI=1S/C14H24N2O4S/c1-5-20-10-11(2)16-21(17,18)14-8-12(9-15-3)6-7-13(14)19-4/h6-8,11,15-16H,5,9-10H2,1-4H3
InChIKeyRJDSWKQZWHOKHB-UHFFFAOYSA-N
XLogP1.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
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

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Related Compounds

2-methoxy-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079747
2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 106059211
N-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 106083434
5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-2-ethylbenzenesulfonamide
CID 106054244
2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 106072006
5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-2-fluorobenzenesulfonamide
CID 106054235
2-methoxy-N-(1-methoxypropan-2-yl)-5-methylbenzenesulfonamide
CID 6461003
2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102704468
N-(1-ethoxypropan-2-yl)-4-ethyl-3-(methylaminomethyl)benzenesulfonamide
CID 106054288
N-[(2R)-butan-2-yl]-5-tert-butyl-2-methoxybenzenesulfonamide
CID 42065813
2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide
CID 102704328
N-butan-2-yl-2-methoxy-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102704456

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-2-methoxy-5-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(1-ethoxypropan-2-yl)-2-methoxy-5-(methylaminomethyl)benzenesulfonamide (CID 106054326) is N-(1-ethoxypropan-2-yl)-2-methoxy-5-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-2-methoxy-5-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-2-methoxy-5-(methylaminomethyl)benzenesulfonamide is CCOCC(C)NS(=O)(=O)c1cc(CNC)ccc1OC.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-2-methoxy-5-(methylaminomethyl)benzenesulfonamide?
The InChIKey is RJDSWKQZWHOKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-5-20-10-11(2)16-21(17,18)14-8-12(9-15-3)6-7-13(14)19-4/h6-8,11,15-16H,5,9-10H2,1-4H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-2-methoxy-5-(methylaminomethyl)benzenesulfonamide?
N-(1-ethoxypropan-2-yl)-2-methoxy-5-(methylaminomethyl)benzenesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-2-methoxy-5-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106054326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).