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

C18H27F2N3O3S — CID 112796986

IUPAC2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H27F2N3O3S/c1-3-7-22(8-4-2)18(24)14-21-9-11-23(12-10-21)27(25,26)17-6-5-15(19)13-16(17)20/h5-6,13H,3-4,7-12,14H2,1-2H3
InChIKeyCSEYTCMUKDSQQH-UHFFFAOYSA-N
MW403.50 g/mol
LogP1.92
Rot. Bonds8

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

2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dipropylacetamide (PubChem CID 112796986) has the molecular formula C18H27F2N3O3S and a molecular weight of 403.50 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dipropylacetamide
PubChem CID112796986
Molecular FormulaC18H27F2N3O3S
Molecular Weight403.50 g/mol
Exact Mass403.17
IUPAC Name2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H27F2N3O3S/c1-3-7-22(8-4-2)18(24)14-21-9-11-23(12-10-21)27(25,26)17-6-5-15(19)13-16(17)20/h5-6,13H,3-4,7-12,14H2,1-2H3
InChIKeyCSEYTCMUKDSQQH-UHFFFAOYSA-N
XLogP1.92
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 8771417
tert-butyl 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetate
CID 8771407
2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide
CID 8771582
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 8771330
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 8771395
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 8771312
N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8771590
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
ethyl 2-[4-(2,5-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]acetate
CID 52788016
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 17451454
1-(2,4-difluorophenyl)sulfonyl-4-(4-ethylphenyl)sulfonylpiperazine
CID 19684620
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 9277342

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dipropylacetamide (CID 112796986) is 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dipropylacetamide?
The InChIKey is CSEYTCMUKDSQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N3O3S/c1-3-7-22(8-4-2)18(24)14-21-9-11-23(12-10-21)27(25,26)17-6-5-15(19)13-16(17)20/h5-6,13H,3-4,7-12,14H2,1-2H3.
What are the key properties of 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dipropylacetamide?
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dipropylacetamide has a molecular weight of 403.50 g/mol, XLogP of 1.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 112796986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).