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

C21H27ClN4O2S — CID 53323442

IUPACN-piperidin-4-yl-3-(4-propan-2-ylphenyl)sulfonyl-2H-indazol-5-amine;hydrochloride
SMILESCC(C)c1ccc(S(=O)(=O)c2[nH]nc3ccc(NC4CCNCC4)cc23)cc1.Cl
InChIInChI=1S/C21H26N4O2S.ClH/c1-14(2)15-3-6-18(7-4-15)28(26,27)21-19-13-17(5-8-20(19)24-25-21)23-16-9-11-22-12-10-16;/h3-8,13-14,16,22-23H,9-12H2,1-2H3,(H,24,25);1H
InChIKeyNFXNBSVLZRHYSN-UHFFFAOYSA-N
MW434.99 g/mol
LogP4.10
Rot. Bonds5

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

N-piperidin-4-yl-3-(4-propan-2-ylphenyl)sulfonyl-2H-indazol-5-amine;hydrochloride (PubChem CID 53323442) has the molecular formula C21H27ClN4O2S and a molecular weight of 434.99 g/mol. Its IUPAC name is N-piperidin-4-yl-3-(4-propan-2-ylphenyl)sulfonyl-2H-indazol-5-amine;hydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-3-(4-propan-2-ylphenyl)sulfonyl-2H-indazol-5-amine;hydrochloride
PubChem CID53323442
Molecular FormulaC21H27ClN4O2S
Molecular Weight434.99 g/mol
Exact Mass434.15
IUPAC NameN-piperidin-4-yl-3-(4-propan-2-ylphenyl)sulfonyl-2H-indazol-5-amine;hydrochloride
SMILESCC(C)c1ccc(S(=O)(=O)c2[nH]nc3ccc(NC4CCNCC4)cc23)cc1.Cl
InChIInChI=1S/C21H26N4O2S.ClH/c1-14(2)15-3-6-18(7-4-15)28(26,27)21-19-13-17(5-8-20(19)24-25-21)23-16-9-11-22-12-10-16;/h3-8,13-14,16,22-23H,9-12H2,1-2H3,(H,24,25);1H
InChIKeyNFXNBSVLZRHYSN-UHFFFAOYSA-N
XLogP4.10
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-3-(4-propan-2-ylphenyl)sulfonyl-2H-indazol-5-amine;hydrochloride?
The IUPAC name of N-piperidin-4-yl-3-(4-propan-2-ylphenyl)sulfonyl-2H-indazol-5-amine;hydrochloride (CID 53323442) is N-piperidin-4-yl-3-(4-propan-2-ylphenyl)sulfonyl-2H-indazol-5-amine;hydrochloride.
What is the SMILES notation for N-piperidin-4-yl-3-(4-propan-2-ylphenyl)sulfonyl-2H-indazol-5-amine;hydrochloride?
The canonical SMILES for N-piperidin-4-yl-3-(4-propan-2-ylphenyl)sulfonyl-2H-indazol-5-amine;hydrochloride is CC(C)c1ccc(S(=O)(=O)c2[nH]nc3ccc(NC4CCNCC4)cc23)cc1.Cl.
What is the InChIKey of N-piperidin-4-yl-3-(4-propan-2-ylphenyl)sulfonyl-2H-indazol-5-amine;hydrochloride?
The InChIKey is NFXNBSVLZRHYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S.ClH/c1-14(2)15-3-6-18(7-4-15)28(26,27)21-19-13-17(5-8-20(19)24-25-21)23-16-9-11-22-12-10-16;/h3-8,13-14,16,22-23H,9-12H2,1-2H3,(H,24,25);1H.
What are the key properties of N-piperidin-4-yl-3-(4-propan-2-ylphenyl)sulfonyl-2H-indazol-5-amine;hydrochloride?
N-piperidin-4-yl-3-(4-propan-2-ylphenyl)sulfonyl-2H-indazol-5-amine;hydrochloride has a molecular weight of 434.99 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-3-(4-propan-2-ylphenyl)sulfonyl-2H-indazol-5-amine;hydrochloride is sourced from PubChem (CID 53323442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).