(2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide

C16H21Cl2N3O3S — CID 8555307

IUPAC(2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H21Cl2N3O3S/c1-11(16(22)19-12-5-6-12)20-7-9-21(10-8-20)25(23,24)14-4-2-3-13(17)15(14)18/h2-4,11-12H,5-10H2,1H3,(H,19,22)/t11-/m1/s1
InChIKeyJHVMARKVDVENFZ-LLVKDONJSA-N
MW406.34 g/mol
LogP1.97
Rot. Bonds5

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

(2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 8555307) has the molecular formula C16H21Cl2N3O3S and a molecular weight of 406.34 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID8555307
Molecular FormulaC16H21Cl2N3O3S
Molecular Weight406.34 g/mol
Exact Mass405.07
IUPAC Name(2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C16H21Cl2N3O3S/c1-11(16(22)19-12-5-6-12)20-7-9-21(10-8-20)25(23,24)14-4-2-3-13(17)15(14)18/h2-4,11-12H,5-10H2,1H3,(H,19,22)/t11-/m1/s1
InChIKeyJHVMARKVDVENFZ-LLVKDONJSA-N
XLogP1.97
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]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-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 8711871
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 55526129
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 46630632
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 46630871
(2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methylpropanamide
CID 8693885
(2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylpropanamide
CID 8512767
(2R)-N-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8771468
N-cyclopropyl-2-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 46457701
(2S)-2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 8710856
N-(2,3-dichlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
CID 55351358
2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 24682385
(2R)-N-cyclopropyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 8710306

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide (CID 8555307) is (2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide is C[C@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is JHVMARKVDVENFZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21Cl2N3O3S/c1-11(16(22)19-12-5-6-12)20-7-9-21(10-8-20)25(23,24)14-4-2-3-13(17)15(14)18/h2-4,11-12H,5-10H2,1H3,(H,19,22)/t11-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide?
(2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 406.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 8555307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).