(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(3,4-difluorophenyl)propanamide

C19H20BrF2N3O3S — CID 25497744

IUPAC(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(3,4-difluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H20BrF2N3O3S/c1-13(19(26)23-15-4-7-17(21)18(22)12-15)24-8-10-25(11-9-24)29(27,28)16-5-2-14(20)3-6-16/h2-7,12-13H,8-11H2,1H3,(H,23,26)/t13-/m1/s1
InChIKeyPABKVDWYXJKJKI-CYBMUJFWSA-N
MW488.35 g/mol
LogP3.06
Rot. Bonds5

About (2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(3,4-difluorophenyl)propanamide

(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(3,4-difluorophenyl)propanamide (PubChem CID 25497744) has the molecular formula C19H20BrF2N3O3S and a molecular weight of 488.35 g/mol. Its IUPAC name is (2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(3,4-difluorophenyl)propanamide
PubChem CID25497744
Molecular FormulaC19H20BrF2N3O3S
Molecular Weight488.35 g/mol
Exact Mass487.04
IUPAC Name(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(3,4-difluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H20BrF2N3O3S/c1-13(19(26)23-15-4-7-17(21)18(22)12-15)24-8-10-25(11-9-24)29(27,28)16-5-2-14(20)3-6-16/h2-7,12-13H,8-11H2,1H3,(H,23,26)/t13-/m1/s1
InChIKeyPABKVDWYXJKJKI-CYBMUJFWSA-N
XLogP3.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 4824621
(2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 9493165
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-chlorophenyl)propanamide
CID 8512070
(2S)-N-(3-bromophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 26295997
N-carbamoyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 55354582
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 46630712
(2S)-N-(4-chlorophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 97070852
(2R)-N-(4-acetamidophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 2473966
(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 9492812
N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide
CID 46630811
N-(3,4-difluorophenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]propanamide
CID 24541311
(2S)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 97066635

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of (2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(3,4-difluorophenyl)propanamide (CID 25497744) is (2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for (2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(3,4-difluorophenyl)propanamide is C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of (2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(3,4-difluorophenyl)propanamide?
The InChIKey is PABKVDWYXJKJKI-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20BrF2N3O3S/c1-13(19(26)23-15-4-7-17(21)18(22)12-15)24-8-10-25(11-9-24)29(27,28)16-5-2-14(20)3-6-16/h2-7,12-13H,8-11H2,1H3,(H,23,26)/t13-/m1/s1.
What are the key properties of (2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(3,4-difluorophenyl)propanamide?
(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(3,4-difluorophenyl)propanamide has a molecular weight of 488.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 25497744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).