(2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methylpropanamide

C14H20ClN3O3S — CID 8693885

IUPAC(2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C14H20ClN3O3S/c1-11(14(19)16-2)17-7-9-18(10-8-17)22(20,21)13-6-4-3-5-12(13)15/h3-6,11H,7-10H2,1-2H3,(H,16,19)/t11-/m0/s1
InChIKeyRDFHYZHLIAHUIK-NSHDSACASA-N
MW345.85 g/mol
LogP0.78
Rot. Bonds4

About (2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methylpropanamide

(2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methylpropanamide (PubChem CID 8693885) has the molecular formula C14H20ClN3O3S and a molecular weight of 345.85 g/mol. Its IUPAC name is (2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methylpropanamide
PubChem CID8693885
Molecular FormulaC14H20ClN3O3S
Molecular Weight345.85 g/mol
Exact Mass345.09
IUPAC Name(2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C14H20ClN3O3S/c1-11(14(19)16-2)17-7-9-18(10-8-17)22(20,21)13-6-4-3-5-12(13)15/h3-6,11H,7-10H2,1-2H3,(H,16,19)/t11-/m0/s1
InChIKeyRDFHYZHLIAHUIK-NSHDSACASA-N
XLogP0.78
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 8711871
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 46563112
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 24507059
(2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8555307
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 46630632
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 55526129
(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 9493537
(2S)-N-(4-fluorophenyl)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8512740
(2R)-2-amino-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119269678
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-chlorophenyl)propanamide
CID 8512070
(2S)-N-propyl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 9493459
N-(2,3-dichlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
CID 55351358

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methylpropanamide?
The IUPAC name of (2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methylpropanamide (CID 8693885) is (2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methylpropanamide?
The canonical SMILES for (2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methylpropanamide is CNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of (2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methylpropanamide?
The InChIKey is RDFHYZHLIAHUIK-NSHDSACASA-N. The full InChI is InChI=1S/C14H20ClN3O3S/c1-11(14(19)16-2)17-7-9-18(10-8-17)22(20,21)13-6-4-3-5-12(13)15/h3-6,11H,7-10H2,1-2H3,(H,16,19)/t11-/m0/s1.
What are the key properties of (2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methylpropanamide?
(2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methylpropanamide has a molecular weight of 345.85 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 8693885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).