5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide

C15H18N2O3S — CID 28717561

IUPAC5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(CN)ccc2C)cc1
InChIInChI=1S/C15H18N2O3S/c1-11-3-4-12(10-16)9-15(11)21(18,19)17-13-5-7-14(20-2)8-6-13/h3-9,17H,10,16H2,1-2H3
InChIKeyXKTYEWTYBCDNAJ-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.26
Rot. Bonds5

About 5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide

5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide (PubChem CID 28717561) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
PubChem CID28717561
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(CN)ccc2C)cc1
InChIInChI=1S/C15H18N2O3S/c1-11-3-4-12(10-16)9-15(11)21(18,19)17-13-5-7-14(20-2)8-6-13/h3-9,17H,10,16H2,1-2H3
InChIKeyXKTYEWTYBCDNAJ-UHFFFAOYSA-N
XLogP2.26
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenyl]acetate
CID 7286055
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
N-[4-[2-(4-methoxyphenyl)ethylamino]phenyl]-2-methylbenzenesulfonamide
CID 112983681
5-amino-4-bromo-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 114624857
2-(4-methoxyphenoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26642497
2-(aminomethyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 16782068
5-(aminomethyl)-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 28717455
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
5-(aminomethyl)-N-(2,3-dimethylphenyl)-2-methylbenzenesulfonamide
CID 28717477
1-amino-N-(4-methoxyphenyl)-4,6-dimethylpyridin-1-ium-3-sulfonamide
CID 102506396
3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 2373077
5-amino-N-(4-ethylphenyl)-2-methylbenzenesulfonamide
CID 29285974

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide (CID 28717561) is 5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(CN)ccc2C)cc1.
What is the InChIKey of 5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide?
The InChIKey is XKTYEWTYBCDNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-3-4-12(10-16)9-15(11)21(18,19)17-13-5-7-14(20-2)8-6-13/h3-9,17H,10,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide?
5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 28717561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).