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

C20H23ClFN3O3S — CID 71453737

IUPACN-[5-(5-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)n2ccc3cc(F)ccc32)cc1NC1CCNCC1.Cl
InChIInChI=1S/C20H22FN3O3S.ClH/c1-27-20-5-3-17(13-18(20)23-16-6-9-22-10-7-16)28(25,26)24-11-8-14-12-15(21)2-4-19(14)24;/h2-5,8,11-13,16,22-23H,6-7,9-10H2,1H3;1H
InChIKeyDUAYVUMWKSFYDW-UHFFFAOYSA-N
MW439.94 g/mol
LogP3.61
Rot. Bonds5

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

N-[5-(5-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride (PubChem CID 71453737) has the molecular formula C20H23ClFN3O3S and a molecular weight of 439.94 g/mol. Its IUPAC name is N-[5-(5-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[5-(5-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride
PubChem CID71453737
Molecular FormulaC20H23ClFN3O3S
Molecular Weight439.94 g/mol
Exact Mass439.11
IUPAC NameN-[5-(5-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride
SMILESCOc1ccc(S(=O)(=O)n2ccc3cc(F)ccc32)cc1NC1CCNCC1.Cl
InChIInChI=1S/C20H22FN3O3S.ClH/c1-27-20-5-3-17(13-18(20)23-16-6-9-22-10-7-16)28(25,26)24-11-8-14-12-15(21)2-4-19(14)24;/h2-5,8,11-13,16,22-23H,6-7,9-10H2,1H3;1H
InChIKeyDUAYVUMWKSFYDW-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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Related Compounds

6-Bromo-1-(4-methoxy-3-piperazin-1-yl-benzenesulfonyl)-1H-indole
CID 44327759
6-[(2R)-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]ethyl]pyrrolidin-1-yl]sulfonyl-1H-indole
CID 44340836
N-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 67341609
5-bromo-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173750
6-bromo-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173755
6-fluoro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173771
6-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173772
5-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173790
5-fluoro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173792
US9663498, Example 31
CID 118181414
US9663498, Example 27
CID 118181437
US9663498, Example 23
CID 118181441

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride?
The IUPAC name of N-[5-(5-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride (CID 71453737) is N-[5-(5-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-[5-(5-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for N-[5-(5-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride is COc1ccc(S(=O)(=O)n2ccc3cc(F)ccc32)cc1NC1CCNCC1.Cl.
What is the InChIKey of N-[5-(5-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride?
The InChIKey is DUAYVUMWKSFYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3S.ClH/c1-27-20-5-3-17(13-18(20)23-16-6-9-22-10-7-16)28(25,26)24-11-8-14-12-15(21)2-4-19(14)24;/h2-5,8,11-13,16,22-23H,6-7,9-10H2,1H3;1H.
What are the key properties of N-[5-(5-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride?
N-[5-(5-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-(5-fluoroindol-1-yl)sulfonyl-2-methoxyphenyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 71453737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).