4-[(benzylamino)methyl]benzenesulfonamide;hydrochloride

C14H17ClN2O2S — CID 90656456

IUPAC4-[(benzylamino)methyl]benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C14H16N2O2S.ClH/c15-19(17,18)14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12;/h1-9,16H,10-11H2,(H2,15,17,18);1H
InChIKeySXGBPYFWILXSPA-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.05
Rot. Bonds5

About 4-[(benzylamino)methyl]benzenesulfonamide;hydrochloride

4-[(benzylamino)methyl]benzenesulfonamide;hydrochloride (PubChem CID 90656456) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is 4-[(benzylamino)methyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[(benzylamino)methyl]benzenesulfonamide;hydrochloride
PubChem CID90656456
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name4-[(benzylamino)methyl]benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C14H16N2O2S.ClH/c15-19(17,18)14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12;/h1-9,16H,10-11H2,(H2,15,17,18);1H
InChIKeySXGBPYFWILXSPA-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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Frequently Asked Questions

What is the IUPAC name of 4-[(benzylamino)methyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-[(benzylamino)methyl]benzenesulfonamide;hydrochloride (CID 90656456) is 4-[(benzylamino)methyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[(benzylamino)methyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[(benzylamino)methyl]benzenesulfonamide;hydrochloride is Cl.NS(=O)(=O)c1ccc(CNCc2ccccc2)cc1.
What is the InChIKey of 4-[(benzylamino)methyl]benzenesulfonamide;hydrochloride?
The InChIKey is SXGBPYFWILXSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S.ClH/c15-19(17,18)14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12;/h1-9,16H,10-11H2,(H2,15,17,18);1H.
What are the key properties of 4-[(benzylamino)methyl]benzenesulfonamide;hydrochloride?
4-[(benzylamino)methyl]benzenesulfonamide;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-[(benzylamino)methyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 90656456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).