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

C19H20Cl2N4O5S — CID 55351358

IUPACN-(2,3-dichlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1cccc(Cl)c1Cl)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H20Cl2N4O5S/c1-13(19(26)22-15-6-4-5-14(20)18(15)21)23-9-11-24(12-10-23)31(29,30)17-8-3-2-7-16(17)25(27)28/h2-8,13H,9-12H2,1H3,(H,22,26)
InChIKeyOGYRUVSQHXXKIW-UHFFFAOYSA-N
MW487.37 g/mol
LogP3.24
Rot. Bonds6

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

N-(2,3-dichlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 55351358) has the molecular formula C19H20Cl2N4O5S and a molecular weight of 487.37 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID55351358
Molecular FormulaC19H20Cl2N4O5S
Molecular Weight487.37 g/mol
Exact Mass486.05
IUPAC NameN-(2,3-dichlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1cccc(Cl)c1Cl)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H20Cl2N4O5S/c1-13(19(26)22-15-6-4-5-14(20)18(15)21)23-9-11-24(12-10-23)31(29,30)17-8-3-2-7-16(17)25(27)28/h2-8,13H,9-12H2,1H3,(H,22,26)
InChIKeyOGYRUVSQHXXKIW-UHFFFAOYSA-N
XLogP3.24
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-tert-butyl-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
CID 9493066
(2S)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 8512449
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 46630871
(2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8555307
N-(cyclohexylmethyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
CID 46801273
N-(2,3-dichlorophenyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 46801992
(2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
CID 8896328
N-(2-chlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2086351
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 55526129
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpropanamide
CID 51167813
(2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methylpropanamide
CID 8693885
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 46630632

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide (CID 55351358) is N-(2,3-dichlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide is CC(C(=O)Nc1cccc(Cl)c1Cl)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is OGYRUVSQHXXKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O5S/c1-13(19(26)22-15-6-4-5-14(20)18(15)21)23-9-11-24(12-10-23)31(29,30)17-8-3-2-7-16(17)25(27)28/h2-8,13H,9-12H2,1H3,(H,22,26).
What are the key properties of N-(2,3-dichlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide?
N-(2,3-dichlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 487.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 55351358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).