3-naphthalen-1-ylsulfonyl-N-piperidin-4-yl-2H-indazol-4-amine;hydrochloride

C22H23ClN4O2S — CID 53319440

IUPAC3-naphthalen-1-ylsulfonyl-N-piperidin-4-yl-2H-indazol-4-amine;hydrochloride
SMILESCl.O=S(=O)(c1cccc2ccccc12)c1[nH]nc2cccc(NC3CCNCC3)c12
InChIInChI=1S/C22H22N4O2S.ClH/c27-29(28,20-10-3-6-15-5-1-2-7-17(15)20)22-21-18(8-4-9-19(21)25-26-22)24-16-11-13-23-14-12-16;/h1-10,16,23-24H,11-14H2,(H,25,26);1H
InChIKeyYFJNEUOVXKGKFX-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.13
Rot. Bonds4

About 3-naphthalen-1-ylsulfonyl-N-piperidin-4-yl-2H-indazol-4-amine;hydrochloride

3-naphthalen-1-ylsulfonyl-N-piperidin-4-yl-2H-indazol-4-amine;hydrochloride (PubChem CID 53319440) has the molecular formula C22H23ClN4O2S and a molecular weight of 442.97 g/mol. Its IUPAC name is 3-naphthalen-1-ylsulfonyl-N-piperidin-4-yl-2H-indazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3-naphthalen-1-ylsulfonyl-N-piperidin-4-yl-2H-indazol-4-amine;hydrochloride
PubChem CID53319440
Molecular FormulaC22H23ClN4O2S
Molecular Weight442.97 g/mol
Exact Mass442.12
IUPAC Name3-naphthalen-1-ylsulfonyl-N-piperidin-4-yl-2H-indazol-4-amine;hydrochloride
SMILESCl.O=S(=O)(c1cccc2ccccc12)c1[nH]nc2cccc(NC3CCNCC3)c12
InChIInChI=1S/C22H22N4O2S.ClH/c27-29(28,20-10-3-6-15-5-1-2-7-17(15)20)22-21-18(8-4-9-19(21)25-26-22)24-16-11-13-23-14-12-16;/h1-10,16,23-24H,11-14H2,(H,25,26);1H
InChIKeyYFJNEUOVXKGKFX-UHFFFAOYSA-N
XLogP4.13
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-naphthalen-1-ylsulfonyl-5-(piperidin-4-ylmethyl)-2H-indazole
CID 143426591
3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-pyrazolo[4,3-b]pyridine
CID 10475675
3-(benzenesulfonyl)-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
CID 53320776
5-(1-butylpiperidin-4-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole;hydrochloride
CID 68690371
5-(1-butylpyrrolidin-3-yl)oxy-3-naphthalen-1-ylsulfonyl-2H-indazole
CID 15981376
1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;3-naphthalen-1-ylsulfonyl-2H-indazol-7-amine;N-(3-naphthalen-1-ylsulfonyl-2H-indazol-7-yl)piperidine-4-carboxamide;dihydrochloride
CID 157379180
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
2,3-dimethyl-N-piperidin-4-ylquinolin-5-amine;formamide;hydrochloride
CID 175301043
2-(piperidin-4-ylamino)-3,1-benzoxazin-4-one
CID 18762616
1-naphthalen-1-yl-3-piperidin-4-ylurea
CID 16790595
tert-butyl N-[(3S)-1-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)pyrrolidin-3-yl]carbamate
CID 45378932
methyl 3-(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)propanoate
CID 68679834

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylsulfonyl-N-piperidin-4-yl-2H-indazol-4-amine;hydrochloride?
The IUPAC name of 3-naphthalen-1-ylsulfonyl-N-piperidin-4-yl-2H-indazol-4-amine;hydrochloride (CID 53319440) is 3-naphthalen-1-ylsulfonyl-N-piperidin-4-yl-2H-indazol-4-amine;hydrochloride.
What is the SMILES notation for 3-naphthalen-1-ylsulfonyl-N-piperidin-4-yl-2H-indazol-4-amine;hydrochloride?
The canonical SMILES for 3-naphthalen-1-ylsulfonyl-N-piperidin-4-yl-2H-indazol-4-amine;hydrochloride is Cl.O=S(=O)(c1cccc2ccccc12)c1[nH]nc2cccc(NC3CCNCC3)c12.
What is the InChIKey of 3-naphthalen-1-ylsulfonyl-N-piperidin-4-yl-2H-indazol-4-amine;hydrochloride?
The InChIKey is YFJNEUOVXKGKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S.ClH/c27-29(28,20-10-3-6-15-5-1-2-7-17(15)20)22-21-18(8-4-9-19(21)25-26-22)24-16-11-13-23-14-12-16;/h1-10,16,23-24H,11-14H2,(H,25,26);1H.
What are the key properties of 3-naphthalen-1-ylsulfonyl-N-piperidin-4-yl-2H-indazol-4-amine;hydrochloride?
3-naphthalen-1-ylsulfonyl-N-piperidin-4-yl-2H-indazol-4-amine;hydrochloride has a molecular weight of 442.97 g/mol, XLogP of 4.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylsulfonyl-N-piperidin-4-yl-2H-indazol-4-amine;hydrochloride is sourced from PubChem (CID 53319440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).