6-(3,3-difluoropiperidin-1-yl)sulfonyl-1-piperidin-4-ylindole;hydrochloride

C18H24ClF2N3O2S — CID 143753648

IUPAC6-(3,3-difluoropiperidin-1-yl)sulfonyl-1-piperidin-4-ylindole;hydrochloride
SMILESCl.O=S(=O)(c1ccc2ccn(C3CCNCC3)c2c1)N1CCCC(F)(F)C1
InChIInChI=1S/C18H23F2N3O2S.ClH/c19-18(20)7-1-10-22(13-18)26(24,25)16-3-2-14-6-11-23(17(14)12-16)15-4-8-21-9-5-15;/h2-3,6,11-12,15,21H,1,4-5,7-10,13H2;1H
InChIKeyUHQXHOSIPJCEEY-UHFFFAOYSA-N
MW419.93 g/mol
LogP3.41
Rot. Bonds3

About 6-(3,3-difluoropiperidin-1-yl)sulfonyl-1-piperidin-4-ylindole;hydrochloride

6-(3,3-difluoropiperidin-1-yl)sulfonyl-1-piperidin-4-ylindole;hydrochloride (PubChem CID 143753648) has the molecular formula C18H24ClF2N3O2S and a molecular weight of 419.93 g/mol. Its IUPAC name is 6-(3,3-difluoropiperidin-1-yl)sulfonyl-1-piperidin-4-ylindole;hydrochloride.

Molecular Properties

Compound Name6-(3,3-difluoropiperidin-1-yl)sulfonyl-1-piperidin-4-ylindole;hydrochloride
PubChem CID143753648
Molecular FormulaC18H24ClF2N3O2S
Molecular Weight419.93 g/mol
Exact Mass419.12
IUPAC Name6-(3,3-difluoropiperidin-1-yl)sulfonyl-1-piperidin-4-ylindole;hydrochloride
SMILESCl.O=S(=O)(c1ccc2ccn(C3CCNCC3)c2c1)N1CCCC(F)(F)C1
InChIInChI=1S/C18H23F2N3O2S.ClH/c19-18(20)7-1-10-22(13-18)26(24,25)16-3-2-14-6-11-23(17(14)12-16)15-4-8-21-9-5-15;/h2-3,6,11-12,15,21H,1,4-5,7-10,13H2;1H
InChIKeyUHQXHOSIPJCEEY-UHFFFAOYSA-N
XLogP3.41
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[6-(3,3-difluoropiperidin-1-yl)sulfonylindol-1-yl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 89204568
2,7-bis[(3,3-difluoropiperidin-1-yl)sulfonyl]fluoren-9-one
CID 135154329
1-piperidin-4-ylindole-6-carboxylic acid
CID 59439473
2-chloro-5-(3,3-difluoropiperidin-1-yl)sulfonylaniline
CID 138985743
(1-piperidin-4-ylindol-6-yl) acetate;hydrochloride
CID 174552539
5-(2-fluorophenyl)sulfonyl-1-piperidin-4-ylindole
CID 11710958
1-piperidin-4-yl-5-(trifluoromethyl)indole
CID 69272236
4-(3,3-difluoropyrrolidin-1-yl)sulfonylbenzoic acid
CID 138453425
1,3-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)sulfonylbenzimidazol-2-one
CID 146041276
4-(3,3-difluoropyrrolidin-1-yl)piperidine
CID 53488020
1-(piperidin-4-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 166239396
1-cyclobutylindole-6-carbaldehyde
CID 115115247

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropiperidin-1-yl)sulfonyl-1-piperidin-4-ylindole;hydrochloride?
The IUPAC name of 6-(3,3-difluoropiperidin-1-yl)sulfonyl-1-piperidin-4-ylindole;hydrochloride (CID 143753648) is 6-(3,3-difluoropiperidin-1-yl)sulfonyl-1-piperidin-4-ylindole;hydrochloride.
What is the SMILES notation for 6-(3,3-difluoropiperidin-1-yl)sulfonyl-1-piperidin-4-ylindole;hydrochloride?
The canonical SMILES for 6-(3,3-difluoropiperidin-1-yl)sulfonyl-1-piperidin-4-ylindole;hydrochloride is Cl.O=S(=O)(c1ccc2ccn(C3CCNCC3)c2c1)N1CCCC(F)(F)C1.
What is the InChIKey of 6-(3,3-difluoropiperidin-1-yl)sulfonyl-1-piperidin-4-ylindole;hydrochloride?
The InChIKey is UHQXHOSIPJCEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2S.ClH/c19-18(20)7-1-10-22(13-18)26(24,25)16-3-2-14-6-11-23(17(14)12-16)15-4-8-21-9-5-15;/h2-3,6,11-12,15,21H,1,4-5,7-10,13H2;1H.
What are the key properties of 6-(3,3-difluoropiperidin-1-yl)sulfonyl-1-piperidin-4-ylindole;hydrochloride?
6-(3,3-difluoropiperidin-1-yl)sulfonyl-1-piperidin-4-ylindole;hydrochloride has a molecular weight of 419.93 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoropiperidin-1-yl)sulfonyl-1-piperidin-4-ylindole;hydrochloride is sourced from PubChem (CID 143753648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).