5-[(1-acetylpiperidin-4-yl)amino]-N-benzylnaphthalene-1-sulfonamide;dihydrochloride

C24H29Cl2N3O3S — CID 164617854

IUPAC5-[(1-acetylpiperidin-4-yl)amino]-N-benzylnaphthalene-1-sulfonamide;dihydrochloride
SMILESCC(=O)N1CCC(Nc2cccc3c(S(=O)(=O)NCc4ccccc4)cccc23)CC1.Cl.Cl
InChIInChI=1S/C24H27N3O3S.2ClH/c1-18(28)27-15-13-20(14-16-27)26-23-11-5-10-22-21(23)9-6-12-24(22)31(29,30)25-17-19-7-3-2-4-8-19;;/h2-12,20,25-26H,13-17H2,1H3;2*1H
InChIKeyIKKCAJMPTVASKB-UHFFFAOYSA-N
MW510.49 g/mol
LogP4.58
Rot. Bonds6

About 5-[(1-acetylpiperidin-4-yl)amino]-N-benzylnaphthalene-1-sulfonamide;dihydrochloride

5-[(1-acetylpiperidin-4-yl)amino]-N-benzylnaphthalene-1-sulfonamide;dihydrochloride (PubChem CID 164617854) has the molecular formula C24H29Cl2N3O3S and a molecular weight of 510.49 g/mol. Its IUPAC name is 5-[(1-acetylpiperidin-4-yl)amino]-N-benzylnaphthalene-1-sulfonamide;dihydrochloride.

Molecular Properties

Compound Name5-[(1-acetylpiperidin-4-yl)amino]-N-benzylnaphthalene-1-sulfonamide;dihydrochloride
PubChem CID164617854
Molecular FormulaC24H29Cl2N3O3S
Molecular Weight510.49 g/mol
Exact Mass509.13
IUPAC Name5-[(1-acetylpiperidin-4-yl)amino]-N-benzylnaphthalene-1-sulfonamide;dihydrochloride
SMILESCC(=O)N1CCC(Nc2cccc3c(S(=O)(=O)NCc4ccccc4)cccc23)CC1.Cl.Cl
InChIInChI=1S/C24H27N3O3S.2ClH/c1-18(28)27-15-13-20(14-16-27)26-23-11-5-10-22-21(23)9-6-12-24(22)31(29,30)25-17-19-7-3-2-4-8-19;;/h2-12,20,25-26H,13-17H2,1H3;2*1H
InChIKeyIKKCAJMPTVASKB-UHFFFAOYSA-N
XLogP4.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.49
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-[(1-methylsulfonylpiperidin-4-yl)amino]naphthalene-1-sulfonamide;hydrochloride
CID 164612227
N-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69048670
3-(benzylsulfamoyl)-4-(cyclopentylamino)benzoic acid
CID 99978998
N-benzyl-5-hydroxynaphthalene-1-sulfonamide
CID 10171893
N-benzylnaphthalene-1-sulfonamide
CID 3844256
1-acetyl-N-[4-(benzylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 6470610
4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid
CID 67120728
N-[5-[(2-chlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69048605
N-[5-(cyclohexylmethylsulfamoyl)naphthalen-1-yl]acetamide
CID 69047545
[4-[[(5-acetamidonaphthalen-1-yl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid
CID 69028182
N-benzyl-4-hydroxynaphthalene-1-sulfonamide
CID 57096004
2-[5-(benzylsulfamoyl)naphthalen-1-yl]oxyacetic acid
CID 19694547

Frequently Asked Questions

What is the IUPAC name of 5-[(1-acetylpiperidin-4-yl)amino]-N-benzylnaphthalene-1-sulfonamide;dihydrochloride?
The IUPAC name of 5-[(1-acetylpiperidin-4-yl)amino]-N-benzylnaphthalene-1-sulfonamide;dihydrochloride (CID 164617854) is 5-[(1-acetylpiperidin-4-yl)amino]-N-benzylnaphthalene-1-sulfonamide;dihydrochloride.
What is the SMILES notation for 5-[(1-acetylpiperidin-4-yl)amino]-N-benzylnaphthalene-1-sulfonamide;dihydrochloride?
The canonical SMILES for 5-[(1-acetylpiperidin-4-yl)amino]-N-benzylnaphthalene-1-sulfonamide;dihydrochloride is CC(=O)N1CCC(Nc2cccc3c(S(=O)(=O)NCc4ccccc4)cccc23)CC1.Cl.Cl.
What is the InChIKey of 5-[(1-acetylpiperidin-4-yl)amino]-N-benzylnaphthalene-1-sulfonamide;dihydrochloride?
The InChIKey is IKKCAJMPTVASKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S.2ClH/c1-18(28)27-15-13-20(14-16-27)26-23-11-5-10-22-21(23)9-6-12-24(22)31(29,30)25-17-19-7-3-2-4-8-19;;/h2-12,20,25-26H,13-17H2,1H3;2*1H.
What are the key properties of 5-[(1-acetylpiperidin-4-yl)amino]-N-benzylnaphthalene-1-sulfonamide;dihydrochloride?
5-[(1-acetylpiperidin-4-yl)amino]-N-benzylnaphthalene-1-sulfonamide;dihydrochloride has a molecular weight of 510.49 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-acetylpiperidin-4-yl)amino]-N-benzylnaphthalene-1-sulfonamide;dihydrochloride is sourced from PubChem (CID 164617854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).