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

C13H15Cl2N3O2S — CID 8748361

IUPAC(2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]propanenitrile
SMILESC[C@H](C#N)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C13H15Cl2N3O2S/c1-10(9-16)17-4-6-18(7-5-17)21(19,20)13-8-11(14)2-3-12(13)15/h2-3,8,10H,4-7H2,1H3/t10-/m1/s1
InChIKeyACJBBHFMWSGXCD-SNVBAGLBSA-N
MW348.26 g/mol
LogP2.21
Rot. Bonds3

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

(2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]propanenitrile (PubChem CID 8748361) has the molecular formula C13H15Cl2N3O2S and a molecular weight of 348.26 g/mol. Its IUPAC name is (2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name(2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]propanenitrile
PubChem CID8748361
Molecular FormulaC13H15Cl2N3O2S
Molecular Weight348.26 g/mol
Exact Mass347.03
IUPAC Name(2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]propanenitrile
SMILESC[C@H](C#N)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C13H15Cl2N3O2S/c1-10(9-16)17-4-6-18(7-5-17)21(19,20)13-8-11(14)2-3-12(13)15/h2-3,8,10H,4-7H2,1H3/t10-/m1/s1
InChIKeyACJBBHFMWSGXCD-SNVBAGLBSA-N
XLogP2.21
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8797022
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 60673369
(2S)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8749222
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 46630724
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]butanenitrile
CID 8689243
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]propanenitrile
CID 63337547
1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684894
1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834631
(2S)-2-amino-1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 119265676
(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8744775
(2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8748349

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]propanenitrile?
The IUPAC name of (2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]propanenitrile (CID 8748361) is (2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]propanenitrile.
What is the SMILES notation for (2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]propanenitrile?
The canonical SMILES for (2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]propanenitrile is C[C@H](C#N)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of (2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]propanenitrile?
The InChIKey is ACJBBHFMWSGXCD-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2S/c1-10(9-16)17-4-6-18(7-5-17)21(19,20)13-8-11(14)2-3-12(13)15/h2-3,8,10H,4-7H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]propanenitrile?
(2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]propanenitrile has a molecular weight of 348.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]propanenitrile is sourced from PubChem (CID 8748361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).