2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylacetamide

C15H21F2N3O3S — CID 40752368

IUPAC2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H21F2N3O3S/c1-11(2)18-15(21)10-19-5-7-20(8-6-19)24(22,23)12-3-4-13(16)14(17)9-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,21)
InChIKeyGFBWTTUFYVUYBG-UHFFFAOYSA-N
MW361.41 g/mol
LogP0.80
Rot. Bonds5

About 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylacetamide

2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 40752368) has the molecular formula C15H21F2N3O3S and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID40752368
Molecular FormulaC15H21F2N3O3S
Molecular Weight361.41 g/mol
Exact Mass361.13
IUPAC Name2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H21F2N3O3S/c1-11(2)18-15(21)10-19-5-7-20(8-6-19)24(22,23)12-3-4-13(16)14(17)9-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,21)
InChIKeyGFBWTTUFYVUYBG-UHFFFAOYSA-N
XLogP0.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 27182616
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 9349024
N-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 40752351
N-butyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 30172353
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-prop-2-enylacetamide
CID 4828148
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 17390954
N-(3-chloro-2-methylphenyl)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 31631258
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 4828514
N-(2-chloro-4-methylphenyl)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27182446
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 26574101
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8744101
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8758014

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylacetamide (CID 40752368) is 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is GFBWTTUFYVUYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O3S/c1-11(2)18-15(21)10-19-5-7-20(8-6-19)24(22,23)12-3-4-13(16)14(17)9-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,21).
What are the key properties of 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 361.41 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 40752368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).