4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide

C14H24N2O4S — CID 102704782

IUPAC4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCC(C)OC)c(OC)c1
InChIInChI=1S/C14H24N2O4S/c1-5-15-10-12-6-7-14(13(8-12)20-4)21(17,18)16-9-11(2)19-3/h6-8,11,15-16H,5,9-10H2,1-4H3
InChIKeyDFSMIFYYMGWKJM-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.12
Rot. Bonds9

About 4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide

4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide (PubChem CID 102704782) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide
PubChem CID102704782
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCC(C)OC)c(OC)c1
InChIInChI=1S/C14H24N2O4S/c1-5-15-10-12-6-7-14(13(8-12)20-4)21(17,18)16-9-11(2)19-3/h6-8,11,15-16H,5,9-10H2,1-4H3
InChIKeyDFSMIFYYMGWKJM-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

4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide
CID 106046618
2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102704468
5-(ethylaminomethyl)-2,3-difluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102701500
4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide
CID 106074924
N-ethyl-4-(ethylaminomethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 102704364
2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102921100
N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704669
4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 102704471
N-(2-cyclopropylpropyl)-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
CID 102704121
2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102701408
2-methoxy-N-(2-methoxypropyl)-5-methylbenzenesulfonamide
CID 102697579
N-(2-ethoxyethyl)-5-(ethylaminomethyl)-2-methoxybenzenesulfonamide
CID 106019817

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide (CID 102704782) is 4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide is CCNCc1ccc(S(=O)(=O)NCC(C)OC)c(OC)c1.
What is the InChIKey of 4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide?
The InChIKey is DFSMIFYYMGWKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-5-15-10-12-6-7-14(13(8-12)20-4)21(17,18)16-9-11(2)19-3/h6-8,11,15-16H,5,9-10H2,1-4H3.
What are the key properties of 4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide?
4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)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 4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 102704782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).