1-(3,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-ylpiperidine;hydrochloride

C15H21ClF2N2O2S — CID 146064617

IUPAC1-(3,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-ylpiperidine;hydrochloride
SMILESCl.O=S(=O)(c1cc(F)cc(F)c1)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C15H20F2N2O2S.ClH/c16-13-7-14(17)9-15(8-13)22(20,21)19-5-2-11(3-6-19)12-1-4-18-10-12;/h7-9,11-12,18H,1-6,10H2;1H
InChIKeyGQEQIGYPWXBLGX-UHFFFAOYSA-N
MW366.86 g/mol
LogP2.40
Rot. Bonds3

About 1-(3,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-ylpiperidine;hydrochloride

1-(3,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-ylpiperidine;hydrochloride (PubChem CID 146064617) has the molecular formula C15H21ClF2N2O2S and a molecular weight of 366.86 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-ylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-ylpiperidine;hydrochloride
PubChem CID146064617
Molecular FormulaC15H21ClF2N2O2S
Molecular Weight366.86 g/mol
Exact Mass366.10
IUPAC Name1-(3,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-ylpiperidine;hydrochloride
SMILESCl.O=S(=O)(c1cc(F)cc(F)c1)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C15H20F2N2O2S.ClH/c16-13-7-14(17)9-15(8-13)22(20,21)19-5-2-11(3-6-19)12-1-4-18-10-12;/h7-9,11-12,18H,1-6,10H2;1H
InChIKeyGQEQIGYPWXBLGX-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-5-fluorophenyl)sulfonyl-4-(pyrrolidin-3-yloxymethyl)piperidine
CID 167853248
(2R)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716849
(2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine
CID 82756368
N,N-dimethyl-4-pyrrolidin-3-ylpiperidine-1-sulfonamide
CID 115269628
4-cyclopropylidene-1-(3,5-difluorophenyl)sulfonylpiperidine
CID 121187243
1-(3,5-difluorophenyl)sulfonylpiperidin-4-one
CID 150339337
1-(3,5-difluorophenyl)sulfonyl-1,4-diazepan-5-one
CID 60709305
1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine
CID 7175888
1-(3-fluorophenyl)-4-pyrrolidin-3-ylpiperidine
CID 117022829
4-(3,5-difluorophenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 169160863
1,3-dimethyl-5-(4-piperidin-4-ylpiperidin-1-yl)sulfonylbenzimidazol-2-one
CID 146041276
1-(3,5-difluorophenyl)sulfonyl-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43598067

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-ylpiperidine;hydrochloride?
The IUPAC name of 1-(3,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-ylpiperidine;hydrochloride (CID 146064617) is 1-(3,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-ylpiperidine;hydrochloride.
What is the SMILES notation for 1-(3,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-ylpiperidine;hydrochloride?
The canonical SMILES for 1-(3,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-ylpiperidine;hydrochloride is Cl.O=S(=O)(c1cc(F)cc(F)c1)N1CCC(C2CCNC2)CC1.
What is the InChIKey of 1-(3,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-ylpiperidine;hydrochloride?
The InChIKey is GQEQIGYPWXBLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2S.ClH/c16-13-7-14(17)9-15(8-13)22(20,21)19-5-2-11(3-6-19)12-1-4-18-10-12;/h7-9,11-12,18H,1-6,10H2;1H.
What are the key properties of 1-(3,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-ylpiperidine;hydrochloride?
1-(3,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-ylpiperidine;hydrochloride has a molecular weight of 366.86 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-ylpiperidine;hydrochloride is sourced from PubChem (CID 146064617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).