3-(2,4-dichlorophenyl)-N-[(7S)-2-(2,4-dichlorophenyl)sulfonyl-2-azaspiro[3.3]heptan-7-yl]propanamide

C21H20Cl4N2O3S — CID 159271106

IUPAC3-(2,4-dichlorophenyl)-N-[(7S)-2-(2,4-dichlorophenyl)sulfonyl-2-azaspiro[3.3]heptan-7-yl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)N[C@H]1CCC12CN(S(=O)(=O)c1ccc(Cl)cc1Cl)C2
InChIInChI=1S/C21H20Cl4N2O3S/c22-14-3-1-13(16(24)9-14)2-6-20(28)26-19-7-8-21(19)11-27(12-21)31(29,30)18-5-4-15(23)10-17(18)25/h1,3-5,9-10,19H,2,6-8,11-12H2,(H,26,28)/t19-/m0/s1
InChIKeyKXSNYHMEHPTLEI-IBGZPJMESA-N
MW522.28 g/mol
LogP5.20
Rot. Bonds6

About 3-(2,4-dichlorophenyl)-N-[(7S)-2-(2,4-dichlorophenyl)sulfonyl-2-azaspiro[3.3]heptan-7-yl]propanamide

3-(2,4-dichlorophenyl)-N-[(7S)-2-(2,4-dichlorophenyl)sulfonyl-2-azaspiro[3.3]heptan-7-yl]propanamide (PubChem CID 159271106) has the molecular formula C21H20Cl4N2O3S and a molecular weight of 522.28 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[(7S)-2-(2,4-dichlorophenyl)sulfonyl-2-azaspiro[3.3]heptan-7-yl]propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[(7S)-2-(2,4-dichlorophenyl)sulfonyl-2-azaspiro[3.3]heptan-7-yl]propanamide
PubChem CID159271106
Molecular FormulaC21H20Cl4N2O3S
Molecular Weight522.28 g/mol
Exact Mass519.99
IUPAC Name3-(2,4-dichlorophenyl)-N-[(7S)-2-(2,4-dichlorophenyl)sulfonyl-2-azaspiro[3.3]heptan-7-yl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)N[C@H]1CCC12CN(S(=O)(=O)c1ccc(Cl)cc1Cl)C2
InChIInChI=1S/C21H20Cl4N2O3S/c22-14-3-1-13(16(24)9-14)2-6-20(28)26-19-7-8-21(19)11-27(12-21)31(29,30)18-5-4-15(23)10-17(18)25/h1,3-5,9-10,19H,2,6-8,11-12H2,(H,26,28)/t19-/m0/s1
InChIKeyKXSNYHMEHPTLEI-IBGZPJMESA-N
XLogP5.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.28
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(7S)-2-(4-chlorophenyl)sulfonyl-2-azaspiro[3.3]heptan-7-yl]-3-[(2,4-dichlorophenyl)methyl]urea
CID 71555125
N-(2-bicyclo[2.2.1]heptanyl)-3-(2,4-dichlorophenyl)propanamide
CID 133225055
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2,4-dichlorophenyl)propanamide
CID 100605785
3-(2,4-dichlorophenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428293
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide
CID 119604389
3-(2,4-dichlorophenyl)-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]propanamide
CID 71910674
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119604388
[1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol
CID 66570215
3-(2,4-dichlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]propanamide
CID 103751500
3-(2,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553265
3-(2,4-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115764583
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[(7S)-2-(2,4-dichlorophenyl)sulfonyl-2-azaspiro[3.3]heptan-7-yl]propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[(7S)-2-(2,4-dichlorophenyl)sulfonyl-2-azaspiro[3.3]heptan-7-yl]propanamide (CID 159271106) is 3-(2,4-dichlorophenyl)-N-[(7S)-2-(2,4-dichlorophenyl)sulfonyl-2-azaspiro[3.3]heptan-7-yl]propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[(7S)-2-(2,4-dichlorophenyl)sulfonyl-2-azaspiro[3.3]heptan-7-yl]propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[(7S)-2-(2,4-dichlorophenyl)sulfonyl-2-azaspiro[3.3]heptan-7-yl]propanamide is O=C(CCc1ccc(Cl)cc1Cl)N[C@H]1CCC12CN(S(=O)(=O)c1ccc(Cl)cc1Cl)C2.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[(7S)-2-(2,4-dichlorophenyl)sulfonyl-2-azaspiro[3.3]heptan-7-yl]propanamide?
The InChIKey is KXSNYHMEHPTLEI-IBGZPJMESA-N. The full InChI is InChI=1S/C21H20Cl4N2O3S/c22-14-3-1-13(16(24)9-14)2-6-20(28)26-19-7-8-21(19)11-27(12-21)31(29,30)18-5-4-15(23)10-17(18)25/h1,3-5,9-10,19H,2,6-8,11-12H2,(H,26,28)/t19-/m0/s1.
What are the key properties of 3-(2,4-dichlorophenyl)-N-[(7S)-2-(2,4-dichlorophenyl)sulfonyl-2-azaspiro[3.3]heptan-7-yl]propanamide?
3-(2,4-dichlorophenyl)-N-[(7S)-2-(2,4-dichlorophenyl)sulfonyl-2-azaspiro[3.3]heptan-7-yl]propanamide has a molecular weight of 522.28 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[(7S)-2-(2,4-dichlorophenyl)sulfonyl-2-azaspiro[3.3]heptan-7-yl]propanamide is sourced from PubChem (CID 159271106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).