(2R)-N-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide

C16H21F2N3O3S — CID 8771468

IUPAC(2R)-N-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H21F2N3O3S/c1-11(16(22)19-13-3-4-13)20-6-8-21(9-7-20)25(23,24)15-5-2-12(17)10-14(15)18/h2,5,10-11,13H,3-4,6-9H2,1H3,(H,19,22)/t11-/m1/s1
InChIKeyYREXZTJRADZYHW-LLVKDONJSA-N
MW373.43 g/mol
LogP0.94
Rot. Bonds5

About (2R)-N-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide

(2R)-N-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 8771468) has the molecular formula C16H21F2N3O3S and a molecular weight of 373.43 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID8771468
Molecular FormulaC16H21F2N3O3S
Molecular Weight373.43 g/mol
Exact Mass373.13
IUPAC Name(2R)-N-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H21F2N3O3S/c1-11(16(22)19-13-3-4-13)20-6-8-21(9-7-20)25(23,24)15-5-2-12(17)10-14(15)18/h2,5,10-11,13H,3-4,6-9H2,1H3,(H,19,22)/t11-/m1/s1
InChIKeyYREXZTJRADZYHW-LLVKDONJSA-N
XLogP0.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 46457701
(2S)-2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 8710856
(2R)-N-cyclohexyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 40692056
(2R)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 8711871
(2S)-N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8512740
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 46631323
(2S)-N-(3-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 9493478
(2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8555307
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 60673369
N-cyclopropyl-2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 46681642
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 46630871
1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 60599241

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide (CID 8771468) is (2R)-N-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide is C[C@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is YREXZTJRADZYHW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21F2N3O3S/c1-11(16(22)19-13-3-4-13)20-6-8-21(9-7-20)25(23,24)15-5-2-12(17)10-14(15)18/h2,5,10-11,13H,3-4,6-9H2,1H3,(H,19,22)/t11-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide?
(2R)-N-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 373.43 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 8771468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).