N-benzyl-5-[(1-methylpiperidin-4-yl)amino]naphthalene-1-sulfonamide;dihydrochloride

C23H29Cl2N3O2S — CID 164614218

IUPACN-benzyl-5-[(1-methylpiperidin-4-yl)amino]naphthalene-1-sulfonamide;dihydrochloride
SMILESCN1CCC(Nc2cccc3c(S(=O)(=O)NCc4ccccc4)cccc23)CC1.Cl.Cl
InChIInChI=1S/C23H27N3O2S.2ClH/c1-26-15-13-19(14-16-26)25-22-11-5-10-21-20(22)9-6-12-23(21)29(27,28)24-17-18-7-3-2-4-8-18;;/h2-12,19,24-25H,13-17H2,1H3;2*1H
InChIKeyVZENSMFUIBEPBV-UHFFFAOYSA-N
MW482.48 g/mol
LogP4.67
Rot. Bonds6

About N-benzyl-5-[(1-methylpiperidin-4-yl)amino]naphthalene-1-sulfonamide;dihydrochloride

N-benzyl-5-[(1-methylpiperidin-4-yl)amino]naphthalene-1-sulfonamide;dihydrochloride (PubChem CID 164614218) has the molecular formula C23H29Cl2N3O2S and a molecular weight of 482.48 g/mol. Its IUPAC name is N-benzyl-5-[(1-methylpiperidin-4-yl)amino]naphthalene-1-sulfonamide;dihydrochloride.

Molecular Properties

Compound NameN-benzyl-5-[(1-methylpiperidin-4-yl)amino]naphthalene-1-sulfonamide;dihydrochloride
PubChem CID164614218
Molecular FormulaC23H29Cl2N3O2S
Molecular Weight482.48 g/mol
Exact Mass481.14
IUPAC NameN-benzyl-5-[(1-methylpiperidin-4-yl)amino]naphthalene-1-sulfonamide;dihydrochloride
SMILESCN1CCC(Nc2cccc3c(S(=O)(=O)NCc4ccccc4)cccc23)CC1.Cl.Cl
InChIInChI=1S/C23H27N3O2S.2ClH/c1-26-15-13-19(14-16-26)25-22-11-5-10-21-20(22)9-6-12-23(21)29(27,28)24-17-18-7-3-2-4-8-18;;/h2-12,19,24-25H,13-17H2,1H3;2*1H
InChIKeyVZENSMFUIBEPBV-UHFFFAOYSA-N
XLogP4.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.48
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(1-methylpiperidin-4-yl)amino]naphthalene-1-sulfonamide;dihydrochloride?
The IUPAC name of N-benzyl-5-[(1-methylpiperidin-4-yl)amino]naphthalene-1-sulfonamide;dihydrochloride (CID 164614218) is N-benzyl-5-[(1-methylpiperidin-4-yl)amino]naphthalene-1-sulfonamide;dihydrochloride.
What is the SMILES notation for N-benzyl-5-[(1-methylpiperidin-4-yl)amino]naphthalene-1-sulfonamide;dihydrochloride?
The canonical SMILES for N-benzyl-5-[(1-methylpiperidin-4-yl)amino]naphthalene-1-sulfonamide;dihydrochloride is CN1CCC(Nc2cccc3c(S(=O)(=O)NCc4ccccc4)cccc23)CC1.Cl.Cl.
What is the InChIKey of N-benzyl-5-[(1-methylpiperidin-4-yl)amino]naphthalene-1-sulfonamide;dihydrochloride?
The InChIKey is VZENSMFUIBEPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S.2ClH/c1-26-15-13-19(14-16-26)25-22-11-5-10-21-20(22)9-6-12-23(21)29(27,28)24-17-18-7-3-2-4-8-18;;/h2-12,19,24-25H,13-17H2,1H3;2*1H.
What are the key properties of N-benzyl-5-[(1-methylpiperidin-4-yl)amino]naphthalene-1-sulfonamide;dihydrochloride?
N-benzyl-5-[(1-methylpiperidin-4-yl)amino]naphthalene-1-sulfonamide;dihydrochloride has a molecular weight of 482.48 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(1-methylpiperidin-4-yl)amino]naphthalene-1-sulfonamide;dihydrochloride is sourced from PubChem (CID 164614218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).