(2S)-N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide

C19H21F2N3O3S — CID 8512740

IUPAC(2S)-N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H21F2N3O3S/c1-14(19(25)22-16-8-6-15(20)7-9-16)23-10-12-24(13-11-23)28(26,27)18-5-3-2-4-17(18)21/h2-9,14H,10-13H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyNZTSCUXJJWOPSD-AWEZNQCLSA-N
MW409.46 g/mol
LogP2.30
Rot. Bonds5

About (2S)-N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide

(2S)-N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 8512740) has the molecular formula C19H21F2N3O3S and a molecular weight of 409.46 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID8512740
Molecular FormulaC19H21F2N3O3S
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC Name(2S)-N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H21F2N3O3S/c1-14(19(25)22-16-8-6-15(20)7-9-16)23-10-12-24(13-11-23)28(26,27)18-5-3-2-4-17(18)21/h2-9,14H,10-13H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyNZTSCUXJJWOPSD-AWEZNQCLSA-N
XLogP2.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 9493478
(2R)-N-(3-cyanophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 2526343
2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 46631323
(2R)-N-benzhydryl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 41119753
(2S)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-prop-2-enylpropanamide
CID 9493487
(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 9493537
(2S)-N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8512483
N-(4-bromophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 4824621
(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 8749274
(2R)-N-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8771468
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-chlorophenyl)propanamide
CID 8512070
(2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 9493165

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide (CID 8512740) is (2S)-N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide is C[C@@H](C(=O)Nc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is NZTSCUXJJWOPSD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21F2N3O3S/c1-14(19(25)22-16-8-6-15(20)7-9-16)23-10-12-24(13-11-23)28(26,27)18-5-3-2-4-17(18)21/h2-9,14H,10-13H2,1H3,(H,22,25)/t14-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide?
(2S)-N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 409.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 8512740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).