(2S)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide

C19H21Cl2N3O3S — CID 97066635

IUPAC(2S)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H21Cl2N3O3S/c1-14(19(25)22-17-7-5-15(20)6-8-17)23-9-11-24(12-10-23)28(26,27)18-4-2-3-16(21)13-18/h2-8,13-14H,9-12H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyNRELNCAXFNDQAE-AWEZNQCLSA-N
MW442.37 g/mol
LogP3.33
Rot. Bonds5

About (2S)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide

(2S)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 97066635) has the molecular formula C19H21Cl2N3O3S and a molecular weight of 442.37 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID97066635
Molecular FormulaC19H21Cl2N3O3S
Molecular Weight442.37 g/mol
Exact Mass441.07
IUPAC Name(2S)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H21Cl2N3O3S/c1-14(19(25)22-17-7-5-15(20)6-8-17)23-9-11-24(12-10-23)28(26,27)18-4-2-3-16(21)13-18/h2-8,13-14H,9-12H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyNRELNCAXFNDQAE-AWEZNQCLSA-N
XLogP3.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 97066636
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-chlorophenyl)propanamide
CID 8512070
(2S)-N-(4-chlorophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 97070852
(2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylpropanamide
CID 8512767
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 46630712
N-benzhydryl-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 71903436
(2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 9493597
(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide
CID 2690459
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 97095808
(2R)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 97095806
(2R)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 8757891
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-chloro-2-fluorophenyl)propanamide
CID 134038394

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide (CID 97066635) is (2S)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide is C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of (2S)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is NRELNCAXFNDQAE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21Cl2N3O3S/c1-14(19(25)22-17-7-5-15(20)6-8-17)23-9-11-24(12-10-23)28(26,27)18-4-2-3-16(21)13-18/h2-8,13-14H,9-12H2,1H3,(H,22,25)/t14-/m0/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide?
(2S)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 442.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 97066635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).