4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride

C15H19ClN2O4S — CID 172999625

IUPAC4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(CN)cc2)c1.Cl
InChIInChI=1S/C15H18N2O4S.ClH/c1-20-12-5-8-15(21-2)14(9-12)17-22(18,19)13-6-3-11(10-16)4-7-13;/h3-9,17H,10,16H2,1-2H3;1H
InChIKeyQTTHBXQCJDFPMY-UHFFFAOYSA-N
MW358.85 g/mol
LogP2.39
Rot. Bonds6

About 4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride

4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride (PubChem CID 172999625) has the molecular formula C15H19ClN2O4S and a molecular weight of 358.85 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride
PubChem CID172999625
Molecular FormulaC15H19ClN2O4S
Molecular Weight358.85 g/mol
Exact Mass358.08
IUPAC Name4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(CN)cc2)c1.Cl
InChIInChI=1S/C15H18N2O4S.ClH/c1-20-12-5-8-15(21-2)14(9-12)17-22(18,19)13-6-3-11(10-16)4-7-13;/h3-9,17H,10,16H2,1-2H3;1H
InChIKeyQTTHBXQCJDFPMY-UHFFFAOYSA-N
XLogP2.39
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide
CID 24989180
5-(aminomethyl)-N-(2,5-dimethoxyphenyl)thiophene-3-sulfonamide
CID 106058867
4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate
CID 4060147
ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126118135
N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 104847775
N-(2,5-dimethoxyphenyl)naphthalene-2-sulfonamide
CID 823335
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 126412231
N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657262
N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide
CID 2885763
1-(diaminomethylidene)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]guanidine
CID 168603610
methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700
4-ethyl-N-(2-methoxy-5-propylphenyl)benzenesulfonamide
CID 142273724

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride (CID 172999625) is 4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride is COc1ccc(OC)c(NS(=O)(=O)c2ccc(CN)cc2)c1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride?
The InChIKey is QTTHBXQCJDFPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S.ClH/c1-20-12-5-8-15(21-2)14(9-12)17-22(18,19)13-6-3-11(10-16)4-7-13;/h3-9,17H,10,16H2,1-2H3;1H.
What are the key properties of 4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride?
4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride has a molecular weight of 358.85 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 172999625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).