5-amino-N-benzyl-N-methylnaphthalene-1-sulfonamide;hydrochloride

C18H19ClN2O2S — CID 22932559

IUPAC5-amino-N-benzyl-N-methylnaphthalene-1-sulfonamide;hydrochloride
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cccc2c(N)cccc12.Cl
InChIInChI=1S/C18H18N2O2S.ClH/c1-20(13-14-7-3-2-4-8-14)23(21,22)18-12-6-9-15-16(18)10-5-11-17(15)19;/h2-12H,13,19H2,1H3;1H
InChIKeyKGDPFWCIDACDCA-UHFFFAOYSA-N
MW362.88 g/mol
LogP3.66
Rot. Bonds4

About 5-amino-N-benzyl-N-methylnaphthalene-1-sulfonamide;hydrochloride

5-amino-N-benzyl-N-methylnaphthalene-1-sulfonamide;hydrochloride (PubChem CID 22932559) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 5-amino-N-benzyl-N-methylnaphthalene-1-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-benzyl-N-methylnaphthalene-1-sulfonamide;hydrochloride
PubChem CID22932559
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name5-amino-N-benzyl-N-methylnaphthalene-1-sulfonamide;hydrochloride
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cccc2c(N)cccc12.Cl
InChIInChI=1S/C18H18N2O2S.ClH/c1-20(13-14-7-3-2-4-8-14)23(21,22)18-12-6-9-15-16(18)10-5-11-17(15)19;/h2-12H,13,19H2,1H3;1H
InChIKeyKGDPFWCIDACDCA-UHFFFAOYSA-N
XLogP3.66
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-benzyl-N-methylnaphthalene-1-sulfonamide;hydrochloride?
The IUPAC name of 5-amino-N-benzyl-N-methylnaphthalene-1-sulfonamide;hydrochloride (CID 22932559) is 5-amino-N-benzyl-N-methylnaphthalene-1-sulfonamide;hydrochloride.
What is the SMILES notation for 5-amino-N-benzyl-N-methylnaphthalene-1-sulfonamide;hydrochloride?
The canonical SMILES for 5-amino-N-benzyl-N-methylnaphthalene-1-sulfonamide;hydrochloride is CN(Cc1ccccc1)S(=O)(=O)c1cccc2c(N)cccc12.Cl.
What is the InChIKey of 5-amino-N-benzyl-N-methylnaphthalene-1-sulfonamide;hydrochloride?
The InChIKey is KGDPFWCIDACDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S.ClH/c1-20(13-14-7-3-2-4-8-14)23(21,22)18-12-6-9-15-16(18)10-5-11-17(15)19;/h2-12H,13,19H2,1H3;1H.
What are the key properties of 5-amino-N-benzyl-N-methylnaphthalene-1-sulfonamide;hydrochloride?
5-amino-N-benzyl-N-methylnaphthalene-1-sulfonamide;hydrochloride has a molecular weight of 362.88 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-benzyl-N-methylnaphthalene-1-sulfonamide;hydrochloride is sourced from PubChem (CID 22932559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).