(2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

C13H18Cl2N3O3S+ — CID 8748349

IUPAC(2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
SMILESC[C@H](C(N)=O)[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C13H17Cl2N3O3S/c1-9(13(16)19)17-4-6-18(7-5-17)22(20,21)12-8-10(14)2-3-11(12)15/h2-3,8-9H,4-7H2,1H3,(H2,16,19)/p+1/t9-/m1/s1
InChIKeyPMZYQWNDRZRIGK-SECBINFHSA-O
MW367.28 g/mol
LogP-0.24
Rot. Bonds4

About (2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

(2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide (PubChem CID 8748349) has the molecular formula C13H18Cl2N3O3S+ and a molecular weight of 367.28 g/mol. Its IUPAC name is (2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
PubChem CID8748349
Molecular FormulaC13H18Cl2N3O3S+
Molecular Weight367.28 g/mol
Exact Mass366.04
IUPAC Name(2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
SMILESC[C@H](C(N)=O)[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C13H17Cl2N3O3S/c1-9(13(16)19)17-4-6-18(7-5-17)22(20,21)12-8-10(14)2-3-11(12)15/h2-3,8-9H,4-7H2,1H3,(H2,16,19)/p+1/t9-/m1/s1
InChIKeyPMZYQWNDRZRIGK-SECBINFHSA-O
XLogP-0.24
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8749217
(2S)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8730579
(2S)-2-amino-1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 119265676
[(2R)-1-amino-1-oxopropan-2-yl] 1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 7953770
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834631
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4194583
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 16615041
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 46630724
1-(2,5-dichlorophenyl)sulfonyl-4-ethylpiperazin-4-ium
CID 6957242
(2S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8747111
(2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 9025380

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide?
The IUPAC name of (2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide (CID 8748349) is (2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide.
What is the SMILES notation for (2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide?
The canonical SMILES for (2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide is C[C@H](C(N)=O)[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of (2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide?
The InChIKey is PMZYQWNDRZRIGK-SECBINFHSA-O. The full InChI is InChI=1S/C13H17Cl2N3O3S/c1-9(13(16)19)17-4-6-18(7-5-17)22(20,21)12-8-10(14)2-3-11(12)15/h2-3,8-9H,4-7H2,1H3,(H2,16,19)/p+1/t9-/m1/s1.
What are the key properties of (2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide?
(2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide has a molecular weight of 367.28 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide is sourced from PubChem (CID 8748349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).