2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide

C15H21F2N3O3S — CID 17451454

IUPAC2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C15H21F2N3O3S/c1-2-5-18-15(21)11-19-6-8-20(9-7-19)24(22,23)14-10-12(16)3-4-13(14)17/h3-4,10H,2,5-9,11H2,1H3,(H,18,21)
InChIKeyCZJQAXSQQWOQRI-UHFFFAOYSA-N
MW361.41 g/mol
LogP0.80
Rot. Bonds6

About 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide

2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide (PubChem CID 17451454) has the molecular formula C15H21F2N3O3S and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
PubChem CID17451454
Molecular FormulaC15H21F2N3O3S
Molecular Weight361.41 g/mol
Exact Mass361.13
IUPAC Name2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C15H21F2N3O3S/c1-2-5-18-15(21)11-19-6-8-20(9-7-19)24(22,23)14-10-12(16)3-4-13(14)17/h3-4,10H,2,5-9,11H2,1H3,(H,18,21)
InChIKeyCZJQAXSQQWOQRI-UHFFFAOYSA-N
XLogP0.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 26630104
N-tert-butyl-2-[4-(2,5-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 8843472
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8796871
2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide
CID 8771582
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55411010
N-butyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 30172353
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 26630779
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 31341519
ethyl 2-[4-(2,5-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetate
CID 52788016
N-butyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 9023316
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 26630620
(2R)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]butan-2-ol
CID 111487243

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide (CID 17451454) is 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide?
The InChIKey is CZJQAXSQQWOQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O3S/c1-2-5-18-15(21)11-19-6-8-20(9-7-19)24(22,23)14-10-12(16)3-4-13(14)17/h3-4,10H,2,5-9,11H2,1H3,(H,18,21).
What are the key properties of 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide?
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide has a molecular weight of 361.41 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 17451454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).