(4,4-difluoropyrrolidin-2-yl)-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]methanone

C14H21F2N5O3S — CID 120955001

IUPAC(4,4-difluoropyrrolidin-2-yl)-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCc1nc(S(=O)(=O)N2CCN(C(=O)C3CC(F)(F)CN3)CC2)cn1C
InChIInChI=1S/C14H21F2N5O3S/c1-10-18-12(8-19(10)2)25(23,24)21-5-3-20(4-6-21)13(22)11-7-14(15,16)9-17-11/h8,11,17H,3-7,9H2,1-2H3
InChIKeyUNMHJEFMXRHATO-UHFFFAOYSA-N
MW377.42 g/mol
LogP-0.44
Rot. Bonds3

About (4,4-difluoropyrrolidin-2-yl)-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]methanone

(4,4-difluoropyrrolidin-2-yl)-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 120955001) has the molecular formula C14H21F2N5O3S and a molecular weight of 377.42 g/mol. Its IUPAC name is (4,4-difluoropyrrolidin-2-yl)-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropyrrolidin-2-yl)-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID120955001
Molecular FormulaC14H21F2N5O3S
Molecular Weight377.42 g/mol
Exact Mass377.13
IUPAC Name(4,4-difluoropyrrolidin-2-yl)-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCc1nc(S(=O)(=O)N2CCN(C(=O)C3CC(F)(F)CN3)CC2)cn1C
InChIInChI=1S/C14H21F2N5O3S/c1-10-18-12(8-19(10)2)25(23,24)21-5-3-20(4-6-21)13(22)11-7-14(15,16)9-17-11/h8,11,17H,3-7,9H2,1-2H3
InChIKeyUNMHJEFMXRHATO-UHFFFAOYSA-N
XLogP-0.44
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53007816
[(2S,4S)-4-fluoro-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875946
N-(2,6-dioxo-3-piperidinyl)-1-methyl-1H-Imidazole-4-sulfonamide
CID 65969855
N-(2,6-dioxopiperidin-3-yl)-N,1-dimethylimidazole-4-sulfonamide
CID 138467543
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 56227356
N-(2,2-difluoroethyl)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 56241425
N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 56411895
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-methyl-N-(3,3,3-trifluoropropyl)propanamide
CID 71685744
1,2-dimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]imidazole-4-sulfonamide
CID 82795104
[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 119868015
[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119868025
(4,4-Difluoropyrrolidin-2-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 120352278

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropyrrolidin-2-yl)-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (4,4-difluoropyrrolidin-2-yl)-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]methanone (CID 120955001) is (4,4-difluoropyrrolidin-2-yl)-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (4,4-difluoropyrrolidin-2-yl)-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (4,4-difluoropyrrolidin-2-yl)-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]methanone is Cc1nc(S(=O)(=O)N2CCN(C(=O)C3CC(F)(F)CN3)CC2)cn1C.
What is the InChIKey of (4,4-difluoropyrrolidin-2-yl)-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is UNMHJEFMXRHATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N5O3S/c1-10-18-12(8-19(10)2)25(23,24)21-5-3-20(4-6-21)13(22)11-7-14(15,16)9-17-11/h8,11,17H,3-7,9H2,1-2H3.
What are the key properties of (4,4-difluoropyrrolidin-2-yl)-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]methanone?
(4,4-difluoropyrrolidin-2-yl)-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 377.42 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropyrrolidin-2-yl)-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 120955001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).