2-(aminomethyl)-N-(4-methoxyphenyl)benzenesulfonamide

C14H16N2O3S — CID 16782068

IUPAC2-(aminomethyl)-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccccc2CN)cc1
InChIInChI=1S/C14H16N2O3S/c1-19-13-8-6-12(7-9-13)16-20(17,18)14-5-3-2-4-11(14)10-15/h2-9,16H,10,15H2,1H3
InChIKeyNRRNBPLNMJDVMS-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.95
Rot. Bonds5

About 2-(aminomethyl)-N-(4-methoxyphenyl)benzenesulfonamide

2-(aminomethyl)-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 16782068) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID16782068
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-(aminomethyl)-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccccc2CN)cc1
InChIInChI=1S/C14H16N2O3S/c1-19-13-8-6-12(7-9-13)16-20(17,18)14-5-3-2-4-11(14)10-15/h2-9,16H,10,15H2,1H3
InChIKeyNRRNBPLNMJDVMS-UHFFFAOYSA-N
XLogP1.95
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 106060822
5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 28717561
2-(aminomethyl)-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62809509
2-(aminomethyl)-N-(3-chlorophenyl)benzenesulfonamide
CID 106060498
N-[4-[2-(4-methoxyphenyl)ethylamino]phenyl]-2-methylbenzenesulfonamide
CID 112983681
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
N-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 4092014
2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 35155544
5-amino-2-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 3521355
5-amino-4-bromo-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 114624857

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(4-methoxyphenyl)benzenesulfonamide (CID 16782068) is 2-(aminomethyl)-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccccc2CN)cc1.
What is the InChIKey of 2-(aminomethyl)-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is NRRNBPLNMJDVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-19-13-8-6-12(7-9-13)16-20(17,18)14-5-3-2-4-11(14)10-15/h2-9,16H,10,15H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(4-methoxyphenyl)benzenesulfonamide?
2-(aminomethyl)-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 16782068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).