1-benzylsulfonyl-6-fluoro-3-piperidin-4-ylindazole;hydrochloride

C19H21ClFN3O2S — CID 175447146

IUPAC1-benzylsulfonyl-6-fluoro-3-piperidin-4-ylindazole;hydrochloride
SMILESCl.O=S(=O)(Cc1ccccc1)n1nc(C2CCNCC2)c2ccc(F)cc21
InChIInChI=1S/C19H20FN3O2S.ClH/c20-16-6-7-17-18(12-16)23(22-19(17)15-8-10-21-11-9-15)26(24,25)13-14-4-2-1-3-5-14;/h1-7,12,15,21H,8-11,13H2;1H
InChIKeyIOAIMKQZAWPFQR-UHFFFAOYSA-N
MW409.91 g/mol
LogP3.44
Rot. Bonds4

About 1-benzylsulfonyl-6-fluoro-3-piperidin-4-ylindazole;hydrochloride

1-benzylsulfonyl-6-fluoro-3-piperidin-4-ylindazole;hydrochloride (PubChem CID 175447146) has the molecular formula C19H21ClFN3O2S and a molecular weight of 409.91 g/mol. Its IUPAC name is 1-benzylsulfonyl-6-fluoro-3-piperidin-4-ylindazole;hydrochloride.

Molecular Properties

Compound Name1-benzylsulfonyl-6-fluoro-3-piperidin-4-ylindazole;hydrochloride
PubChem CID175447146
Molecular FormulaC19H21ClFN3O2S
Molecular Weight409.91 g/mol
Exact Mass409.10
IUPAC Name1-benzylsulfonyl-6-fluoro-3-piperidin-4-ylindazole;hydrochloride
SMILESCl.O=S(=O)(Cc1ccccc1)n1nc(C2CCNCC2)c2ccc(F)cc21
InChIInChI=1S/C19H20FN3O2S.ClH/c20-16-6-7-17-18(12-16)23(22-19(17)15-8-10-21-11-9-15)26(24,25)13-14-4-2-1-3-5-14;/h1-7,12,15,21H,8-11,13H2;1H
InChIKeyIOAIMKQZAWPFQR-UHFFFAOYSA-N
XLogP3.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.91
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-fluoro-3-piperidin-4-ylindazol-1-yl)ethanol
CID 150485482
1-benzylsulfonyl-3-piperidin-4-ylpyrrolo[3,2-c]pyridine;hydrochloride
CID 175447173
1-(2-methylphenyl)sulfonyl-3-piperidin-4-ylindazole
CID 175447209
5-fluoro-3-piperidin-4-yl-1-[4-(trifluoromethyl)phenyl]indazole;hydrochloride
CID 14032601
2-ethyl-6-fluoro-1-phenyl-3-piperidin-4-ylindole
CID 58748000
2-(3-benzylsulfonyl-6-fluoroindazol-1-yl)acetic acid
CID 70170629
9-[(4-fluorophenyl)methylsulfonyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120719310
6-fluoro-3-(1-methylpiperidin-4-yl)-1,2-benzoxazole;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;methane;hydrochloride
CID 159928028
but-2-enedioic acid;6-fluoro-1-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)indazole
CID 70358269
acetaldehyde;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole
CID 158743343
4-(3-benzyl-1-hydroxypyrazol-4-yl)piperidine
CID 46204538
4-[(3-fluorophenyl)methyl]-3-piperidin-4-yl-1H-1,2,4-triazol-5-one;hydrochloride
CID 154878962

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-6-fluoro-3-piperidin-4-ylindazole;hydrochloride?
The IUPAC name of 1-benzylsulfonyl-6-fluoro-3-piperidin-4-ylindazole;hydrochloride (CID 175447146) is 1-benzylsulfonyl-6-fluoro-3-piperidin-4-ylindazole;hydrochloride.
What is the SMILES notation for 1-benzylsulfonyl-6-fluoro-3-piperidin-4-ylindazole;hydrochloride?
The canonical SMILES for 1-benzylsulfonyl-6-fluoro-3-piperidin-4-ylindazole;hydrochloride is Cl.O=S(=O)(Cc1ccccc1)n1nc(C2CCNCC2)c2ccc(F)cc21.
What is the InChIKey of 1-benzylsulfonyl-6-fluoro-3-piperidin-4-ylindazole;hydrochloride?
The InChIKey is IOAIMKQZAWPFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S.ClH/c20-16-6-7-17-18(12-16)23(22-19(17)15-8-10-21-11-9-15)26(24,25)13-14-4-2-1-3-5-14;/h1-7,12,15,21H,8-11,13H2;1H.
What are the key properties of 1-benzylsulfonyl-6-fluoro-3-piperidin-4-ylindazole;hydrochloride?
1-benzylsulfonyl-6-fluoro-3-piperidin-4-ylindazole;hydrochloride has a molecular weight of 409.91 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-6-fluoro-3-piperidin-4-ylindazole;hydrochloride is sourced from PubChem (CID 175447146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).