N-[5-(6-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride

C20H23ClFN3O3S — CID 71455433

IUPACN-[5-(6-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccc(F)cc32)cc1NC1CCNCC1.Cl
InChIInChI=1S/C20H22FN3O3S.ClH/c1-27-20-5-4-17(13-18(20)23-16-6-9-22-10-7-16)28(25,26)24-11-8-14-2-3-15(21)12-19(14)24;/h2-5,8,11-13,16,22-23H,6-7,9-10H2,1H3;1H
InChIKeyJPBYVBGGEVNNIY-UHFFFAOYSA-N
MW439.94 g/mol
LogP3.61
Rot. Bonds5

About N-[5-(6-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride

N-[5-(6-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride (PubChem CID 71455433) has the molecular formula C20H23ClFN3O3S and a molecular weight of 439.94 g/mol. Its IUPAC name is N-[5-(6-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[5-(6-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride
PubChem CID71455433
Molecular FormulaC20H23ClFN3O3S
Molecular Weight439.94 g/mol
Exact Mass439.11
IUPAC NameN-[5-(6-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccc(F)cc32)cc1NC1CCNCC1.Cl
InChIInChI=1S/C20H22FN3O3S.ClH/c1-27-20-5-4-17(13-18(20)23-16-6-9-22-10-7-16)28(25,26)24-11-8-14-2-3-15(21)12-19(14)24;/h2-5,8,11-13,16,22-23H,6-7,9-10H2,1H3;1H
InChIKeyJPBYVBGGEVNNIY-UHFFFAOYSA-N
XLogP3.61
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride?
The IUPAC name of N-[5-(6-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride (CID 71455433) is N-[5-(6-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-[5-(6-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for N-[5-(6-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride is COc1ccc(S(=O)(=O)n2ccc3ccc(F)cc32)cc1NC1CCNCC1.Cl.
What is the InChIKey of N-[5-(6-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride?
The InChIKey is JPBYVBGGEVNNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3S.ClH/c1-27-20-5-4-17(13-18(20)23-16-6-9-22-10-7-16)28(25,26)24-11-8-14-2-3-15(21)12-19(14)24;/h2-5,8,11-13,16,22-23H,6-7,9-10H2,1H3;1H.
What are the key properties of N-[5-(6-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride?
N-[5-(6-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride has a molecular weight of 439.94 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 71455433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).