N-[2-(6-hydroxynaphthalen-1-yl)-2-methylpropyl]-4-methoxy-3-piperidin-1-ylbenzenesulfonamide

C26H32N2O4S — CID 126550283

IUPACN-[2-(6-hydroxynaphthalen-1-yl)-2-methylpropyl]-4-methoxy-3-piperidin-1-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)(C)c2cccc3cc(O)ccc23)cc1N1CCCCC1
InChIInChI=1S/C26H32N2O4S/c1-26(2,23-9-7-8-19-16-20(29)10-12-22(19)23)18-27-33(30,31)21-11-13-25(32-3)24(17-21)28-14-5-4-6-15-28/h7-13,16-17,27,29H,4-6,14-15,18H2,1-3H3
InChIKeyRHCWJRVRXYRMKK-UHFFFAOYSA-N
MW468.62 g/mol
LogP4.80
Rot. Bonds7

About N-[2-(6-hydroxynaphthalen-1-yl)-2-methylpropyl]-4-methoxy-3-piperidin-1-ylbenzenesulfonamide

N-[2-(6-hydroxynaphthalen-1-yl)-2-methylpropyl]-4-methoxy-3-piperidin-1-ylbenzenesulfonamide (PubChem CID 126550283) has the molecular formula C26H32N2O4S and a molecular weight of 468.62 g/mol. Its IUPAC name is N-[2-(6-hydroxynaphthalen-1-yl)-2-methylpropyl]-4-methoxy-3-piperidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(6-hydroxynaphthalen-1-yl)-2-methylpropyl]-4-methoxy-3-piperidin-1-ylbenzenesulfonamide
PubChem CID126550283
Molecular FormulaC26H32N2O4S
Molecular Weight468.62 g/mol
Exact Mass468.21
IUPAC NameN-[2-(6-hydroxynaphthalen-1-yl)-2-methylpropyl]-4-methoxy-3-piperidin-1-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)(C)c2cccc3cc(O)ccc23)cc1N1CCCCC1
InChIInChI=1S/C26H32N2O4S/c1-26(2,23-9-7-8-19-16-20(29)10-12-22(19)23)18-27-33(30,31)21-11-13-25(32-3)24(17-21)28-14-5-4-6-15-28/h7-13,16-17,27,29H,4-6,14-15,18H2,1-3H3
InChIKeyRHCWJRVRXYRMKK-UHFFFAOYSA-N
XLogP4.80
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(7-hydroxynaphthalen-1-yl)-2-methylpropyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 118465041
N-[2-(7-bromonaphthalen-1-yl)-2-methylpropyl]-4-methoxy-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 118465045
tert-butyl 4-[5-[(5-chloronaphthalen-2-yl)sulfonylamino]-2-methoxyphenyl]piperazine-1-carboxylate
CID 151991692
4-methoxy-3-(4-methylpiperazin-1-yl)-N-[(1-naphthalen-1-ylcyclopropyl)methyl]benzenesulfonamide
CID 118465009
4-methoxy-N-[(1-naphthalen-1-ylcyclopropyl)methyl]-3-piperazin-1-ylbenzenesulfonamide
CID 118465055
N-(2-tert-butylphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 18354562
7-fluoro-1-(4-methoxy-3-piperidin-1-ylphenyl)sulfonylindole
CID 122520130
3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 46088955
4-methoxy-N-(2-methoxyethyl)-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]benzenesulfonamide
CID 46088866
4-methoxy-N-[2-(5-methoxynaphthalen-1-yl)ethyl]-3-[4-(2,2,2-trichloroacetyl)piperazin-1-yl]benzenesulfonamide
CID 126511103
N-(5-hydroxy-2-methoxyphenyl)naphthalene-2-sulfonamide
CID 70792470
3-[4-(cyclohexanecarbonyl)piperazin-1-yl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 46088632

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-hydroxynaphthalen-1-yl)-2-methylpropyl]-4-methoxy-3-piperidin-1-ylbenzenesulfonamide?
The IUPAC name of N-[2-(6-hydroxynaphthalen-1-yl)-2-methylpropyl]-4-methoxy-3-piperidin-1-ylbenzenesulfonamide (CID 126550283) is N-[2-(6-hydroxynaphthalen-1-yl)-2-methylpropyl]-4-methoxy-3-piperidin-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[2-(6-hydroxynaphthalen-1-yl)-2-methylpropyl]-4-methoxy-3-piperidin-1-ylbenzenesulfonamide?
The canonical SMILES for N-[2-(6-hydroxynaphthalen-1-yl)-2-methylpropyl]-4-methoxy-3-piperidin-1-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(C)(C)c2cccc3cc(O)ccc23)cc1N1CCCCC1.
What is the InChIKey of N-[2-(6-hydroxynaphthalen-1-yl)-2-methylpropyl]-4-methoxy-3-piperidin-1-ylbenzenesulfonamide?
The InChIKey is RHCWJRVRXYRMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4S/c1-26(2,23-9-7-8-19-16-20(29)10-12-22(19)23)18-27-33(30,31)21-11-13-25(32-3)24(17-21)28-14-5-4-6-15-28/h7-13,16-17,27,29H,4-6,14-15,18H2,1-3H3.
What are the key properties of N-[2-(6-hydroxynaphthalen-1-yl)-2-methylpropyl]-4-methoxy-3-piperidin-1-ylbenzenesulfonamide?
N-[2-(6-hydroxynaphthalen-1-yl)-2-methylpropyl]-4-methoxy-3-piperidin-1-ylbenzenesulfonamide has a molecular weight of 468.62 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-hydroxynaphthalen-1-yl)-2-methylpropyl]-4-methoxy-3-piperidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 126550283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).