3-naphthalen-1-ylsulfonyl-5-(3-piperidin-1-ylpropoxy)-2H-indazole;hydrochloride

C25H28ClN3O3S — CID 68681311

IUPAC3-naphthalen-1-ylsulfonyl-5-(3-piperidin-1-ylpropoxy)-2H-indazole;hydrochloride
SMILESCl.O=S(=O)(c1cccc2ccccc12)c1[nH]nc2ccc(OCCCN3CCCCC3)cc12
InChIInChI=1S/C25H27N3O3S.ClH/c29-32(30,24-11-6-9-19-8-2-3-10-21(19)24)25-22-18-20(12-13-23(22)26-27-25)31-17-7-16-28-14-4-1-5-15-28;/h2-3,6,8-13,18H,1,4-5,7,14-17H2,(H,26,27);1H
InChIKeyJHLJOQNEQDSZLC-UHFFFAOYSA-N
MW486.04 g/mol
LogP5.23
Rot. Bonds7

About 3-naphthalen-1-ylsulfonyl-5-(3-piperidin-1-ylpropoxy)-2H-indazole;hydrochloride

3-naphthalen-1-ylsulfonyl-5-(3-piperidin-1-ylpropoxy)-2H-indazole;hydrochloride (PubChem CID 68681311) has the molecular formula C25H28ClN3O3S and a molecular weight of 486.04 g/mol. Its IUPAC name is 3-naphthalen-1-ylsulfonyl-5-(3-piperidin-1-ylpropoxy)-2H-indazole;hydrochloride.

Molecular Properties

Compound Name3-naphthalen-1-ylsulfonyl-5-(3-piperidin-1-ylpropoxy)-2H-indazole;hydrochloride
PubChem CID68681311
Molecular FormulaC25H28ClN3O3S
Molecular Weight486.04 g/mol
Exact Mass485.15
IUPAC Name3-naphthalen-1-ylsulfonyl-5-(3-piperidin-1-ylpropoxy)-2H-indazole;hydrochloride
SMILESCl.O=S(=O)(c1cccc2ccccc12)c1[nH]nc2ccc(OCCCN3CCCCC3)cc12
InChIInChI=1S/C25H27N3O3S.ClH/c29-32(30,24-11-6-9-19-8-2-3-10-21(19)24)25-22-18-20(12-13-23(22)26-27-25)31-17-7-16-28-14-4-1-5-15-28;/h2-3,6,8-13,18H,1,4-5,7,14-17H2,(H,26,27);1H
InChIKeyJHLJOQNEQDSZLC-UHFFFAOYSA-N
XLogP5.23
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.04
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-naphthalen-1-ylsulfonyl-5-(4-pyrrolidin-1-ylbutoxy)-2H-indazole
CID 68679898
5-(1-butylpiperidin-4-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole;hydrochloride
CID 68690371
N,N-dimethyl-4-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)oxy]butan-1-amine
CID 68679888
6-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)oxy]hexan-3-amine
CID 69137588
2-[(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)oxy]ethanamine
CID 58812067
5-(1-butylpyrrolidin-3-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole
CID 15981376
N-(3-naphthalen-1-ylsulfonyl-2H-indazol-6-yl)-3-piperidin-1-ylpropanamide
CID 53323436
butanal;5-(1-butylpyrrolidin-3-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole;methane;3-naphthalen-1-ylsulfonyl-5-pyrrolidin-3-yloxy-2H-indazole;hydrochloride
CID 158720066
2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-(3-pyrrolidin-1-ylpropoxy)aniline
CID 89378484
3-naphthalen-1-ylsulfonyl-5-(piperidin-4-ylmethyl)-2H-indazole
CID 143426591
3-[(5-fluoro-3-naphthalen-1-ylsulfonyl-2H-indazol-7-yl)oxy]propan-1-amine;hydrochloride
CID 68679346
cyclopropanamine;N-[3-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)oxy]propyl]cyclopropanamine;3-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)oxy]propyl 4-methylbenzenesulfonate;oxolane
CID 159790935

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylsulfonyl-5-(3-piperidin-1-ylpropoxy)-2H-indazole;hydrochloride?
The IUPAC name of 3-naphthalen-1-ylsulfonyl-5-(3-piperidin-1-ylpropoxy)-2H-indazole;hydrochloride (CID 68681311) is 3-naphthalen-1-ylsulfonyl-5-(3-piperidin-1-ylpropoxy)-2H-indazole;hydrochloride.
What is the SMILES notation for 3-naphthalen-1-ylsulfonyl-5-(3-piperidin-1-ylpropoxy)-2H-indazole;hydrochloride?
The canonical SMILES for 3-naphthalen-1-ylsulfonyl-5-(3-piperidin-1-ylpropoxy)-2H-indazole;hydrochloride is Cl.O=S(=O)(c1cccc2ccccc12)c1[nH]nc2ccc(OCCCN3CCCCC3)cc12.
What is the InChIKey of 3-naphthalen-1-ylsulfonyl-5-(3-piperidin-1-ylpropoxy)-2H-indazole;hydrochloride?
The InChIKey is JHLJOQNEQDSZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S.ClH/c29-32(30,24-11-6-9-19-8-2-3-10-21(19)24)25-22-18-20(12-13-23(22)26-27-25)31-17-7-16-28-14-4-1-5-15-28;/h2-3,6,8-13,18H,1,4-5,7,14-17H2,(H,26,27);1H.
What are the key properties of 3-naphthalen-1-ylsulfonyl-5-(3-piperidin-1-ylpropoxy)-2H-indazole;hydrochloride?
3-naphthalen-1-ylsulfonyl-5-(3-piperidin-1-ylpropoxy)-2H-indazole;hydrochloride has a molecular weight of 486.04 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylsulfonyl-5-(3-piperidin-1-ylpropoxy)-2H-indazole;hydrochloride is sourced from PubChem (CID 68681311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).