2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide

C13H22N2O3S — CID 102704468

IUPAC2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCC(C)C)c(OC)c1
InChIInChI=1S/C13H22N2O3S/c1-10(2)8-15-19(16,17)13-6-5-11(9-14-3)7-12(13)18-4/h5-7,10,14-15H,8-9H2,1-4H3
InChIKeySCEREUUKYDRVGD-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.35
Rot. Bonds7

About 2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide

2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 102704468) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
PubChem CID102704468
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCC(C)C)c(OC)c1
InChIInChI=1S/C13H22N2O3S/c1-10(2)8-15-19(16,17)13-6-5-11(9-14-3)7-12(13)18-4/h5-7,10,14-15H,8-9H2,1-4H3
InChIKeySCEREUUKYDRVGD-UHFFFAOYSA-N
XLogP1.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704669
4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 102704471
2-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79190978
2-methoxy-5-(methylaminomethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 106059211
2-methoxy-4-(methylaminomethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 102704604
2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide
CID 102704328
4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102704782
2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704500
N-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 106083434
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
2-methoxy-4-(methylaminomethyl)-N-(2-methylcyclopropyl)benzenesulfonamide
CID 102704578
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide (CID 102704468) is 2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)NCC(C)C)c(OC)c1.
What is the InChIKey of 2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is SCEREUUKYDRVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-10(2)8-15-19(16,17)13-6-5-11(9-14-3)7-12(13)18-4/h5-7,10,14-15H,8-9H2,1-4H3.
What are the key properties of 2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide?
2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 102704468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).