N-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)acetamide

C21H22F3N3O3S — CID 16593609

IUPACN-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(NC1CC1)C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C21H22F3N3O3S/c22-15-6-4-14(5-7-15)19(21(28)25-16-8-9-16)26-10-12-27(13-11-26)31(29,30)20-17(23)2-1-3-18(20)24/h1-7,16,19H,8-13H2,(H,25,28)
InChIKeyJAAKWOMGMWZPNZ-UHFFFAOYSA-N
MW453.49 g/mol
LogP2.43
Rot. Bonds6

About N-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)acetamide

N-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 16593609) has the molecular formula C21H22F3N3O3S and a molecular weight of 453.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)acetamide
PubChem CID16593609
Molecular FormulaC21H22F3N3O3S
Molecular Weight453.49 g/mol
Exact Mass453.13
IUPAC NameN-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(NC1CC1)C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C21H22F3N3O3S/c22-15-6-4-14(5-7-15)19(21(28)25-16-8-9-16)26-10-12-27(13-11-26)31(29,30)20-17(23)2-1-3-18(20)24/h1-7,16,19H,8-13H2,(H,25,28)
InChIKeyJAAKWOMGMWZPNZ-UHFFFAOYSA-N
XLogP2.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 16593824
(2S)-N-cyclopropyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
CID 9036697
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 16593788
2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 24593623
N-cyclopropyl-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-fluorophenyl)acetamide
CID 24595097
(2R)-N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-phenylacetamide
CID 9038052
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 3431872
2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 16595090
(2R)-N-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8771468
(2S)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 9023346
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979763
(2S)-2-(4-acetylpiperazin-1-yl)-N-cyclopropyl-2-phenylacetamide
CID 9033825

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)acetamide (CID 16593609) is N-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)acetamide is O=C(NC1CC1)C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is JAAKWOMGMWZPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O3S/c22-15-6-4-14(5-7-15)19(21(28)25-16-8-9-16)26-10-12-27(13-11-26)31(29,30)20-17(23)2-1-3-18(20)24/h1-7,16,19H,8-13H2,(H,25,28).
What are the key properties of N-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)acetamide?
N-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 453.49 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 16593609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).