N-(2,5-dichlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)propanamide

C16H15Cl2N3O5S — CID 132669452

IUPACN-(2,5-dichlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)propanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O
InChIInChI=1S/C16H15Cl2N3O5S/c1-10(16(22)19-15-8-11(17)6-7-14(15)18)20(27(2,25)26)12-4-3-5-13(9-12)21(23)24/h3-10H,1-2H3,(H,19,22)
InChIKeyZHMXXZHTAMOBCM-UHFFFAOYSA-N
MW432.29 g/mol
LogP3.69
Rot. Bonds6

About N-(2,5-dichlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)propanamide

N-(2,5-dichlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)propanamide (PubChem CID 132669452) has the molecular formula C16H15Cl2N3O5S and a molecular weight of 432.29 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)propanamide
PubChem CID132669452
Molecular FormulaC16H15Cl2N3O5S
Molecular Weight432.29 g/mol
Exact Mass431.01
IUPAC NameN-(2,5-dichlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)propanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O
InChIInChI=1S/C16H15Cl2N3O5S/c1-10(16(22)19-15-8-11(17)6-7-14(15)18)20(27(2,25)26)12-4-3-5-13(9-12)21(23)24/h3-10H,1-2H3,(H,19,22)
InChIKeyZHMXXZHTAMOBCM-UHFFFAOYSA-N
XLogP3.69
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(2-chloro-5-nitrophenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 132670055
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)propanamide
CID 126413908
N-(4-bromophenyl)-2-(N-methylsulfonyl-3-nitroanilino)propanamide
CID 132672419
2-(3-chloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide
CID 132663994
N-(4-chloro-2-methylphenyl)-2-(N-methylsulfonyl-3-nitroanilino)butanamide
CID 132667814
(2S)-2-(4-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 1243350
N-(5-chloro-2-methylphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 2913752
(2R)-N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)propanamide
CID 7865200
N-(2-methyl-5-nitrophenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 132673464
N-(4-butylphenyl)-2-(N-methylsulfonyl-3-nitroanilino)propanamide
CID 132666078
2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 53281520
N-(3-chlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)butanamide
CID 132664002

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)propanamide (CID 132669452) is N-(2,5-dichlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)propanamide is CC(C(=O)Nc1cc(Cl)ccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)propanamide?
The InChIKey is ZHMXXZHTAMOBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O5S/c1-10(16(22)19-15-8-11(17)6-7-14(15)18)20(27(2,25)26)12-4-3-5-13(9-12)21(23)24/h3-10H,1-2H3,(H,19,22).
What are the key properties of N-(2,5-dichlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)propanamide?
N-(2,5-dichlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)propanamide has a molecular weight of 432.29 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)propanamide is sourced from PubChem (CID 132669452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).