4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride

C14H17ClN2O2S — CID 22051273

IUPAC4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride
SMILESCl.NCc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C14H16N2O2S.ClH/c15-10-12-6-8-14(9-7-12)19(17,18)16-11-13-4-2-1-3-5-13;/h1-9,16H,10-11,15H2;1H
InChIKeyQDGGLVZTCNXONA-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.05
Rot. Bonds5

About 4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride

4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride (PubChem CID 22051273) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is 4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride
PubChem CID22051273
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride
SMILESCl.NCc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C14H16N2O2S.ClH/c15-10-12-6-8-14(9-7-12)19(17,18)16-11-13-4-2-1-3-5-13;/h1-9,16H,10-11,15H2;1H
InChIKeyQDGGLVZTCNXONA-UHFFFAOYSA-N
XLogP2.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]benzenesulfonamide
CID 43589421
N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide
CID 81089757
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
2-[4-(benzylsulfamoyl)phenyl]ethanethioamide
CID 79185403
4-(3-aminoprop-1-ynyl)-N-benzylbenzenesulfonamide
CID 60845155
N-benzyl-4-(3-hydroxypropyl)benzenesulfonamide
CID 39436087
N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
4-(benzylsulfamoyl)benzenecarbothioamide
CID 3643967
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 70094597
4-(benzylsulfamoyl)benzoate
CID 4743721
N-benzyl-4-methoxybenzenesulfonamide
CID 741351

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride (CID 22051273) is 4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride is Cl.NCc1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride?
The InChIKey is QDGGLVZTCNXONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S.ClH/c15-10-12-6-8-14(9-7-12)19(17,18)16-11-13-4-2-1-3-5-13;/h1-9,16H,10-11,15H2;1H.
What are the key properties of 4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride?
4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride has a molecular weight of 312.82 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 22051273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).