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

C20H20Cl2N4O3S — CID 2533044

IUPAC(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1
InChIInChI=1S/C20H20Cl2N4O3S/c1-14(20(27)24-18-12-16(21)6-7-17(18)22)25-8-10-26(11-9-25)30(28,29)19-5-3-2-4-15(19)13-23/h2-7,12,14H,8-11H2,1H3,(H,24,27)/t14-/m1/s1
InChIKeySZEASWWPOMKPQE-CQSZACIVSA-N
MW467.38 g/mol
LogP3.20
Rot. Bonds5

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

(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide (PubChem CID 2533044) has the molecular formula C20H20Cl2N4O3S and a molecular weight of 467.38 g/mol. Its IUPAC name is (2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide
PubChem CID2533044
Molecular FormulaC20H20Cl2N4O3S
Molecular Weight467.38 g/mol
Exact Mass466.06
IUPAC Name(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1
InChIInChI=1S/C20H20Cl2N4O3S/c1-14(20(27)24-18-12-16(21)6-7-17(18)22)25-8-10-26(11-9-25)30(28,29)19-5-3-2-4-15(19)13-23/h2-7,12,14H,8-11H2,1H3,(H,24,27)/t14-/m1/s1
InChIKeySZEASWWPOMKPQE-CQSZACIVSA-N
XLogP3.20
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide
CID 2690459
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]propanamide
CID 110750534
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-chloro-2-fluorophenyl)propanamide
CID 134038394
N-(2,5-dichlorophenyl)-2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
CID 46801147
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690255
(2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-prop-2-enylpropanamide
CID 40758746
(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 9286693
(2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-2-phenylpropyl]propanamide
CID 27253011
(2S)-N-(2,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2088438
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690189
N-(5-chloro-2-methylphenyl)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 55430844
N-(2,3-dichlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
CID 55351358

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide?
The IUPAC name of (2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide (CID 2533044) is (2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide?
The canonical SMILES for (2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide is C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1.
What is the InChIKey of (2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide?
The InChIKey is SZEASWWPOMKPQE-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20Cl2N4O3S/c1-14(20(27)24-18-12-16(21)6-7-17(18)22)25-8-10-26(11-9-25)30(28,29)19-5-3-2-4-15(19)13-23/h2-7,12,14H,8-11H2,1H3,(H,24,27)/t14-/m1/s1.
What are the key properties of (2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide?
(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide has a molecular weight of 467.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide is sourced from PubChem (CID 2533044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).