4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]piperidine-1-sulfonamide

C18H23F2N5O2S — CID 123702425

IUPAC4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(n2nccc2N2CCC[C@@H]2c2cc(F)ccc2F)CC1
InChIInChI=1S/C18H23F2N5O2S/c19-13-3-4-16(20)15(12-13)17-2-1-9-24(17)18-5-8-22-25(18)14-6-10-23(11-7-14)28(21,26)27/h3-5,8,12,14,17H,1-2,6-7,9-11H2,(H2,21,26,27)/t17-/m1/s1
InChIKeyHAZCJGDAJDNRQX-QGZVFWFLSA-N
MW411.48 g/mol
LogP2.34
Rot. Bonds4

About 4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]piperidine-1-sulfonamide

4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]piperidine-1-sulfonamide (PubChem CID 123702425) has the molecular formula C18H23F2N5O2S and a molecular weight of 411.48 g/mol. Its IUPAC name is 4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]piperidine-1-sulfonamide
PubChem CID123702425
Molecular FormulaC18H23F2N5O2S
Molecular Weight411.48 g/mol
Exact Mass411.15
IUPAC Name4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]piperidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(n2nccc2N2CCC[C@@H]2c2cc(F)ccc2F)CC1
InChIInChI=1S/C18H23F2N5O2S/c19-13-3-4-16(20)15(12-13)17-2-1-9-24(17)18-5-8-22-25(18)14-6-10-23(11-7-14)28(21,26)27/h3-5,8,12,14,17H,1-2,6-7,9-11H2,(H2,21,26,27)/t17-/m1/s1
InChIKeyHAZCJGDAJDNRQX-QGZVFWFLSA-N
XLogP2.34
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropylsulfonyl-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazole
CID 141369872
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-(2-methylphenyl)sulfonylpyrazole
CID 122516474
1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethyl]imidazolidin-2-one
CID 141292506
4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]methyl]-1-methylpyrazole
CID 175200240
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine;oxaldehydic acid
CID 158601658
ethyl 2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3,5-dimethylimidazole-4-carboxylate
CID 167969435
(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine
CID 139526642
8-chloro-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridine
CID 146611650
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine;formamide
CID 118104850
2-(2,5-difluorophenyl)-1-methylazetidine
CID 68991011
5-chloro-2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-methylimidazole-4-carbonitrile
CID 166306917
1-amino-3-(2,5-difluorophenyl)piperidin-2-one
CID 66839492

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]piperidine-1-sulfonamide?
The IUPAC name of 4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]piperidine-1-sulfonamide (CID 123702425) is 4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]piperidine-1-sulfonamide?
The canonical SMILES for 4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]piperidine-1-sulfonamide is NS(=O)(=O)N1CCC(n2nccc2N2CCC[C@@H]2c2cc(F)ccc2F)CC1.
What is the InChIKey of 4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]piperidine-1-sulfonamide?
The InChIKey is HAZCJGDAJDNRQX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23F2N5O2S/c19-13-3-4-16(20)15(12-13)17-2-1-9-24(17)18-5-8-22-25(18)14-6-10-23(11-7-14)28(21,26)27/h3-5,8,12,14,17H,1-2,6-7,9-11H2,(H2,21,26,27)/t17-/m1/s1.
What are the key properties of 4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]piperidine-1-sulfonamide?
4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]piperidine-1-sulfonamide has a molecular weight of 411.48 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 123702425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).