3-(3-methylphenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride

C19H23ClN4O2S — CID 53319477

IUPAC3-(3-methylphenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
SMILESCc1cccc(S(=O)(=O)c2[nH]nc3ccc(NC4CCNCC4)cc23)c1.Cl
InChIInChI=1S/C19H22N4O2S.ClH/c1-13-3-2-4-16(11-13)26(24,25)19-17-12-15(5-6-18(17)22-23-19)21-14-7-9-20-10-8-14;/h2-6,11-12,14,20-21H,7-10H2,1H3,(H,22,23);1H
InChIKeyKKTSGCMDIJDRFW-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.29
Rot. Bonds4

About 3-(3-methylphenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride

3-(3-methylphenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride (PubChem CID 53319477) has the molecular formula C19H23ClN4O2S and a molecular weight of 406.94 g/mol. Its IUPAC name is 3-(3-methylphenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride.

Molecular Properties

Compound Name3-(3-methylphenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
PubChem CID53319477
Molecular FormulaC19H23ClN4O2S
Molecular Weight406.94 g/mol
Exact Mass406.12
IUPAC Name3-(3-methylphenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
SMILESCc1cccc(S(=O)(=O)c2[nH]nc3ccc(NC4CCNCC4)cc23)c1.Cl
InChIInChI=1S/C19H22N4O2S.ClH/c1-13-3-2-4-16(11-13)26(24,25)19-17-12-15(5-6-18(17)22-23-19)21-14-7-9-20-10-8-14;/h2-6,11-12,14,20-21H,7-10H2,1H3,(H,22,23);1H
InChIKeyKKTSGCMDIJDRFW-UHFFFAOYSA-N
XLogP3.29
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride?
The IUPAC name of 3-(3-methylphenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride (CID 53319477) is 3-(3-methylphenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride.
What is the SMILES notation for 3-(3-methylphenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride?
The canonical SMILES for 3-(3-methylphenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride is Cc1cccc(S(=O)(=O)c2[nH]nc3ccc(NC4CCNCC4)cc23)c1.Cl.
What is the InChIKey of 3-(3-methylphenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride?
The InChIKey is KKTSGCMDIJDRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S.ClH/c1-13-3-2-4-16(11-13)26(24,25)19-17-12-15(5-6-18(17)22-23-19)21-14-7-9-20-10-8-14;/h2-6,11-12,14,20-21H,7-10H2,1H3,(H,22,23);1H.
What are the key properties of 3-(3-methylphenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride?
3-(3-methylphenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride has a molecular weight of 406.94 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride is sourced from PubChem (CID 53319477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).