2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide

C15H18N2O3S — CID 43606229

IUPAC2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide
SMILESCNCc1cccc(NS(=O)(=O)c2ccccc2OC)c1
InChIInChI=1S/C15H18N2O3S/c1-16-11-12-6-5-7-13(10-12)17-21(18,19)15-9-4-3-8-14(15)20-2/h3-10,16-17H,11H2,1-2H3
InChIKeyXXXCGDFHPKXXMR-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.22
Rot. Bonds6

About 2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide

2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide (PubChem CID 43606229) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide
PubChem CID43606229
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide
SMILESCNCc1cccc(NS(=O)(=O)c2ccccc2OC)c1
InChIInChI=1S/C15H18N2O3S/c1-16-11-12-6-5-7-13(10-12)17-21(18,19)15-9-4-3-8-14(15)20-2/h3-10,16-17H,11H2,1-2H3
InChIKeyXXXCGDFHPKXXMR-UHFFFAOYSA-N
XLogP2.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethynylphenyl)-2-methoxybenzenesulfonamide
CID 47141612
2-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 106072006
5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
CID 26979755
5-amino-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
CID 29267050
methyl 2-[3-[(2-acetyloxyphenyl)sulfonylamino]phenyl]acetate
CID 67310883
2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082623
5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide
CID 100562486
2,5-dimethoxy-N-(3-phenylmethoxyphenyl)benzenesulfonamide
CID 3770079
methyl 2-[[3-(methylaminomethyl)phenyl]sulfamoyl]acetate
CID 55124931
N-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106060591
N-(4-cyanophenyl)-2-methoxybenzenesulfonamide
CID 47104401
N-(2-chloro-4-pyridinyl)-2-methoxybenzenesulfonamide
CID 75448368

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide (CID 43606229) is 2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide is CNCc1cccc(NS(=O)(=O)c2ccccc2OC)c1.
What is the InChIKey of 2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide?
The InChIKey is XXXCGDFHPKXXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-16-11-12-6-5-7-13(10-12)17-21(18,19)15-9-4-3-8-14(15)20-2/h3-10,16-17H,11H2,1-2H3.
What are the key properties of 2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide?
2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 43606229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).