(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide

C16H24BrN3O3S — CID 9492812

IUPAC(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H24BrN3O3S/c1-3-8-18-16(21)13(2)19-9-11-20(12-10-19)24(22,23)15-6-4-14(17)5-7-15/h4-7,13H,3,8-12H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyTYSMGCHDWFGRLG-CYBMUJFWSA-N
MW418.36 g/mol
LogP1.67
Rot. Bonds6

About (2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide

(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide (PubChem CID 9492812) has the molecular formula C16H24BrN3O3S and a molecular weight of 418.36 g/mol. Its IUPAC name is (2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
PubChem CID9492812
Molecular FormulaC16H24BrN3O3S
Molecular Weight418.36 g/mol
Exact Mass417.07
IUPAC Name(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H24BrN3O3S/c1-3-8-18-16(21)13(2)19-9-11-20(12-10-19)24(22,23)15-6-4-14(17)5-7-15/h4-7,13H,3,8-12H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyTYSMGCHDWFGRLG-CYBMUJFWSA-N
XLogP1.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 9493027
(2S)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-propylpropanamide
CID 9493871
(2S)-N-ethyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8688391
N-(4-bromophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 4824621
(2S)-2-(4-ethylsulfonylpiperazin-1-yl)-N-propylpropanamide
CID 94418958
(2S)-N-propyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 9493354
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 46630632
(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(3,4-difluorophenyl)propanamide
CID 25497744
(2S)-N-propyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 9493459
(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9493919
(2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-ethylpropanamide
CID 8599795
(2R)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-propylpropanamide
CID 9493181

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide?
The IUPAC name of (2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide (CID 9492812) is (2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide.
What is the SMILES notation for (2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide?
The canonical SMILES for (2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide is CCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of (2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide?
The InChIKey is TYSMGCHDWFGRLG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24BrN3O3S/c1-3-8-18-16(21)13(2)19-9-11-20(12-10-19)24(22,23)15-6-4-14(17)5-7-15/h4-7,13H,3,8-12H2,1-2H3,(H,18,21)/t13-/m1/s1.
What are the key properties of (2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide?
(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide has a molecular weight of 418.36 g/mol, XLogP of 1.67, 6 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-propylpropanamide is sourced from PubChem (CID 9492812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).