3-naphthalen-2-ylsulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride

C22H23ClN4O2S — CID 53318145

IUPAC3-naphthalen-2-ylsulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
SMILESCl.O=S(=O)(c1ccc2ccccc2c1)c1[nH]nc2ccc(NC3CCNCC3)cc12
InChIInChI=1S/C22H22N4O2S.ClH/c27-29(28,19-7-5-15-3-1-2-4-16(15)13-19)22-20-14-18(6-8-21(20)25-26-22)24-17-9-11-23-12-10-17;/h1-8,13-14,17,23-24H,9-12H2,(H,25,26);1H
InChIKeyCBOBTUDJCUNBQD-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.13
Rot. Bonds4

About 3-naphthalen-2-ylsulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride

3-naphthalen-2-ylsulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride (PubChem CID 53318145) has the molecular formula C22H23ClN4O2S and a molecular weight of 442.97 g/mol. Its IUPAC name is 3-naphthalen-2-ylsulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride.

Molecular Properties

Compound Name3-naphthalen-2-ylsulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
PubChem CID53318145
Molecular FormulaC22H23ClN4O2S
Molecular Weight442.97 g/mol
Exact Mass442.12
IUPAC Name3-naphthalen-2-ylsulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
SMILESCl.O=S(=O)(c1ccc2ccccc2c1)c1[nH]nc2ccc(NC3CCNCC3)cc12
InChIInChI=1S/C22H22N4O2S.ClH/c27-29(28,19-7-5-15-3-1-2-4-16(15)13-19)22-20-14-18(6-8-21(20)25-26-22)24-17-9-11-23-12-10-17;/h1-8,13-14,17,23-24H,9-12H2,(H,25,26);1H
InChIKeyCBOBTUDJCUNBQD-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

Way-255315
CID 10430623
5-(4-Methylpiperazin-1-yl)-3-tosyl-1H-indazole
CID 49836621
(3R)-N,N-Dimethyl-1-[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]pyrrolidin-3-amine
CID 25117676
5-(4-Methylpiperazin-1-yl)-3-(m-tolylsulfonyl)-1H-indazole
CID 49836620
4-(piperazin-1-yl)-3-tosyl-1H-indazole
CID 49836506
6-(piperazin-1-yl)-3-tosyl-1H-indazole
CID 49836719
3-naphthalen-1-ylsulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
CID 50993932
3-(3-methylphenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
CID 53319477
3-naphthalen-1-ylsulfonyl-5-(piperazin-1-ylmethyl)-2H-indazole;hydrochloride
CID 53323401
N-piperidin-4-yl-3-(4-propan-2-ylphenyl)sulfonyl-2H-indazol-5-amine;hydrochloride
CID 53323442
3-(3-chlorophenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
CID 53324761
5-(4-Methylpiperazin-1-yl)-3-(1-naphthalenesulfonyl)-1H-indazole
CID 9978683

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-ylsulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride?
The IUPAC name of 3-naphthalen-2-ylsulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride (CID 53318145) is 3-naphthalen-2-ylsulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride.
What is the SMILES notation for 3-naphthalen-2-ylsulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride?
The canonical SMILES for 3-naphthalen-2-ylsulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride is Cl.O=S(=O)(c1ccc2ccccc2c1)c1[nH]nc2ccc(NC3CCNCC3)cc12.
What is the InChIKey of 3-naphthalen-2-ylsulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride?
The InChIKey is CBOBTUDJCUNBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S.ClH/c27-29(28,19-7-5-15-3-1-2-4-16(15)13-19)22-20-14-18(6-8-21(20)25-26-22)24-17-9-11-23-12-10-17;/h1-8,13-14,17,23-24H,9-12H2,(H,25,26);1H.
What are the key properties of 3-naphthalen-2-ylsulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride?
3-naphthalen-2-ylsulfonyl-N-piperidin-4-yl-2H-indazol-5-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-2-ylsulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride is sourced from PubChem (CID 53318145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).