2-methoxy-4-(methylaminomethyl)benzenesulfonamide

C9H14N2O3S — CID 102704500

IUPAC2-methoxy-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(N)(=O)=O)c(OC)c1
InChIInChI=1S/C9H14N2O3S/c1-11-6-7-3-4-9(15(10,12)13)8(5-7)14-2/h3-5,11H,6H2,1-2H3,(H2,10,12,13)
InChIKeyFBXYNSQFNICQHL-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.06
Rot. Bonds4

About 2-methoxy-4-(methylaminomethyl)benzenesulfonamide

2-methoxy-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 102704500) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-methoxy-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4-(methylaminomethyl)benzenesulfonamide
PubChem CID102704500
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name2-methoxy-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(N)(=O)=O)c(OC)c1
InChIInChI=1S/C9H14N2O3S/c1-11-6-7-3-4-9(15(10,12)13)8(5-7)14-2/h3-5,11H,6H2,1-2H3,(H2,10,12,13)
InChIKeyFBXYNSQFNICQHL-UHFFFAOYSA-N
XLogP0.06
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide
CID 102704328
2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102704468
2-methoxy-4-(2-oxopropyl)benzenesulfonamide
CID 163498161
2-methoxy-N-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 102704420
N-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 102704614
N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704669
N-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide
CID 102704691
2-methoxy-4-(methylaminomethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 102704604
2-methoxy-4-(methylaminomethyl)-N-(2-methylcyclopropyl)benzenesulfonamide
CID 102704578
2-methoxy-4-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide
CID 102704372
4-(azidomethyl)-2-methoxybenzenesulfonamide
CID 59667698
2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082623

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-4-(methylaminomethyl)benzenesulfonamide (CID 102704500) is 2-methoxy-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-4-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(S(N)(=O)=O)c(OC)c1.
What is the InChIKey of 2-methoxy-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is FBXYNSQFNICQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-11-6-7-3-4-9(15(10,12)13)8(5-7)14-2/h3-5,11H,6H2,1-2H3,(H2,10,12,13).
What are the key properties of 2-methoxy-4-(methylaminomethyl)benzenesulfonamide?
2-methoxy-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 230.29 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 102704500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).