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

C18H20Cl2N4O2S — CID 53324761

IUPAC3-(3-chlorophenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
SMILESCl.O=S(=O)(c1cccc(Cl)c1)c1[nH]nc2ccc(NC3CCNCC3)cc12
InChIInChI=1S/C18H19ClN4O2S.ClH/c19-12-2-1-3-15(10-12)26(24,25)18-16-11-14(4-5-17(16)22-23-18)21-13-6-8-20-9-7-13;/h1-5,10-11,13,20-21H,6-9H2,(H,22,23);1H
InChIKeyZZMKDSUXUVQHOG-UHFFFAOYSA-N
MW427.36 g/mol
LogP3.63
Rot. Bonds4

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

3-(3-chlorophenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride (PubChem CID 53324761) has the molecular formula C18H20Cl2N4O2S and a molecular weight of 427.36 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
PubChem CID53324761
Molecular FormulaC18H20Cl2N4O2S
Molecular Weight427.36 g/mol
Exact Mass426.07
IUPAC Name3-(3-chlorophenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
SMILESCl.O=S(=O)(c1cccc(Cl)c1)c1[nH]nc2ccc(NC3CCNCC3)cc12
InChIInChI=1S/C18H19ClN4O2S.ClH/c19-12-2-1-3-15(10-12)26(24,25)18-16-11-14(4-5-17(16)22-23-18)21-13-6-8-20-9-7-13;/h1-5,10-11,13,20-21H,6-9H2,(H,22,23);1H
InChIKeyZZMKDSUXUVQHOG-UHFFFAOYSA-N
XLogP3.63
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.36
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride (CID 53324761) is 3-(3-chlorophenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride is Cl.O=S(=O)(c1cccc(Cl)c1)c1[nH]nc2ccc(NC3CCNCC3)cc12.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride?
The InChIKey is ZZMKDSUXUVQHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S.ClH/c19-12-2-1-3-15(10-12)26(24,25)18-16-11-14(4-5-17(16)22-23-18)21-13-6-8-20-9-7-13;/h1-5,10-11,13,20-21H,6-9H2,(H,22,23);1H.
What are the key properties of 3-(3-chlorophenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride?
3-(3-chlorophenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride has a molecular weight of 427.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride is sourced from PubChem (CID 53324761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).