6-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

C17H20F2N4O4S — CID 46677423

IUPAC6-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H20F2N4O4S/c1-20-12(9-16(24)21(2)17(20)25)11-22-5-7-23(8-6-22)28(26,27)13-3-4-14(18)15(19)10-13/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyJTOGDTXCVPOJIC-UHFFFAOYSA-N
MW414.43 g/mol
LogP-0.13
Rot. Bonds4

About 6-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 46677423) has the molecular formula C17H20F2N4O4S and a molecular weight of 414.43 g/mol. Its IUPAC name is 6-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID46677423
Molecular FormulaC17H20F2N4O4S
Molecular Weight414.43 g/mol
Exact Mass414.12
IUPAC Name6-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H20F2N4O4S/c1-20-12(9-16(24)21(2)17(20)25)11-22-5-7-23(8-6-22)28(26,27)13-3-4-14(18)15(19)10-13/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyJTOGDTXCVPOJIC-UHFFFAOYSA-N
XLogP-0.13
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

6-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 46673823
6-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 46673804
1-(2-chloroethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
CID 63397139
1-(3,4-difluorophenyl)sulfonyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 22208261
1-(3,4-difluorophenyl)sulfonyl-4-(furan-2-ylmethyl)piperazine
CID 17374335
1-(3,4-difluorophenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazine
CID 17446186
1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione
CID 71900504
6-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 22109627
1-(3,4-difluorophenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799661
1-(3,4-difluorophenyl)sulfonyl-4-[3-(4-fluorophenoxy)propyl]piperazine
CID 27634956
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylacetamide
CID 40752368
1-(1-benzothiophen-3-ylmethyl)-4-(3,4-difluorophenyl)sulfonylpiperazine
CID 24556207

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 46677423) is 6-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is JTOGDTXCVPOJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O4S/c1-20-12(9-16(24)21(2)17(20)25)11-22-5-7-23(8-6-22)28(26,27)13-3-4-14(18)15(19)10-13/h3-4,9-10H,5-8,11H2,1-2H3.
What are the key properties of 6-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 414.43 g/mol, XLogP of -0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 46677423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).