N-(2,3-dichlorophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide

C15H13Cl2N3O5S — CID 17192926

IUPACN-(2,3-dichlorophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl2N3O5S/c16-12-2-1-3-13(15(12)17)19-14(21)8-9-18-26(24,25)11-6-4-10(5-7-11)20(22)23/h1-7,18H,8-9H2,(H,19,21)
InChIKeyUDSQZBLNTWIGNH-UHFFFAOYSA-N
MW418.26 g/mol
LogP3.21
Rot. Bonds7

About N-(2,3-dichlorophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide

N-(2,3-dichlorophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide (PubChem CID 17192926) has the molecular formula C15H13Cl2N3O5S and a molecular weight of 418.26 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
PubChem CID17192926
Molecular FormulaC15H13Cl2N3O5S
Molecular Weight418.26 g/mol
Exact Mass417.00
IUPAC NameN-(2,3-dichlorophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H13Cl2N3O5S/c16-12-2-1-3-13(15(12)17)19-14(21)8-9-18-26(24,25)11-6-4-10(5-7-11)20(22)23/h1-7,18H,8-9H2,(H,19,21)
InChIKeyUDSQZBLNTWIGNH-UHFFFAOYSA-N
XLogP3.21
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.26
LogP ≤ 53.21
H-Bond Donors ≤ 52
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

3-[(4-bromophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)propanamide
CID 17192422
3-[(4-nitrophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 17192801
N-(2-butan-2-ylphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192963
N-(4-iodophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192861
N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192162
3-[(4-methylphenyl)sulfonylamino]-N-(4-nitrophenyl)propanamide
CID 4181109
3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 17192941
N-(2,3-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3998601
N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192157
3-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 17225629
N-(2-aminoethyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 119382683
N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192795

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide (CID 17192926) is N-(2,3-dichlorophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide?
The InChIKey is UDSQZBLNTWIGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O5S/c16-12-2-1-3-13(15(12)17)19-14(21)8-9-18-26(24,25)11-6-4-10(5-7-11)20(22)23/h1-7,18H,8-9H2,(H,19,21).
What are the key properties of N-(2,3-dichlorophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide?
N-(2,3-dichlorophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide has a molecular weight of 418.26 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 17192926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).