2,2-dichloro-N-[(4-nitrophenyl)methylsulfonyl]cyclopropane-1-carboxamide

C11H10Cl2N2O5S — CID 78895563

IUPAC2,2-dichloro-N-[(4-nitrophenyl)methylsulfonyl]cyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1(Cl)Cl
InChIInChI=1S/C11H10Cl2N2O5S/c12-11(13)5-9(11)10(16)14-21(19,20)6-7-1-3-8(4-2-7)15(17)18/h1-4,9H,5-6H2,(H,14,16)
InChIKeyODJZEBJCDJJRHE-UHFFFAOYSA-N
MW353.18 g/mol
LogP1.73
Rot. Bonds5

About 2,2-dichloro-N-[(4-nitrophenyl)methylsulfonyl]cyclopropane-1-carboxamide

2,2-dichloro-N-[(4-nitrophenyl)methylsulfonyl]cyclopropane-1-carboxamide (PubChem CID 78895563) has the molecular formula C11H10Cl2N2O5S and a molecular weight of 353.18 g/mol. Its IUPAC name is 2,2-dichloro-N-[(4-nitrophenyl)methylsulfonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[(4-nitrophenyl)methylsulfonyl]cyclopropane-1-carboxamide
PubChem CID78895563
Molecular FormulaC11H10Cl2N2O5S
Molecular Weight353.18 g/mol
Exact Mass351.97
IUPAC Name2,2-dichloro-N-[(4-nitrophenyl)methylsulfonyl]cyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1(Cl)Cl
InChIInChI=1S/C11H10Cl2N2O5S/c12-11(13)5-9(11)10(16)14-21(19,20)6-7-1-3-8(4-2-7)15(17)18/h1-4,9H,5-6H2,(H,14,16)
InChIKeyODJZEBJCDJJRHE-UHFFFAOYSA-N
XLogP1.73
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-N-[(4-nitrophenyl)methylsulfonyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-nitrophenyl)methylsulfonyl]thiophene-2-carboxamide
CID 86997903
1-[[(4-nitrophenyl)methylsulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450275
3,4-difluoro-N-[(4-nitrophenyl)methylsulfonyl]benzamide
CID 55757836
1-butanoyl-N-[(4-nitrophenyl)methylsulfonyl]pyrrolidine-2-carboxamide
CID 55974768
N-(4-hydroxycyclohexyl)-1-(4-nitrophenyl)methanesulfonamide
CID 43419374
N-(2-aminocyclopropyl)-1-(4-nitrophenyl)methanesulfonamide
CID 43596906
2-[(4-nitrophenyl)methylsulfonylamino]oxyacetic acid
CID 63915357
methyl 3-[(4-nitrophenyl)methylsulfonylcarbamoyl]benzoate
CID 55823846
N-[(1R,2R)-2-hydroxycyclohexyl]-1-(4-nitrophenyl)methanesulfonamide
CID 104922450
(2S)-2-[(4-nitrophenyl)methylsulfonylamino]propanoic acid
CID 28523651
2-hydroxy-3-[(4-nitrophenyl)methylsulfonylamino]propanamide
CID 107258388
1-(4-nitrophenyl)-N-prop-2-ynylmethanesulfonamide
CID 58956310

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[(4-nitrophenyl)methylsulfonyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[(4-nitrophenyl)methylsulfonyl]cyclopropane-1-carboxamide (CID 78895563) is 2,2-dichloro-N-[(4-nitrophenyl)methylsulfonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[(4-nitrophenyl)methylsulfonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[(4-nitrophenyl)methylsulfonyl]cyclopropane-1-carboxamide is O=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[(4-nitrophenyl)methylsulfonyl]cyclopropane-1-carboxamide?
The InChIKey is ODJZEBJCDJJRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O5S/c12-11(13)5-9(11)10(16)14-21(19,20)6-7-1-3-8(4-2-7)15(17)18/h1-4,9H,5-6H2,(H,14,16).
What are the key properties of 2,2-dichloro-N-[(4-nitrophenyl)methylsulfonyl]cyclopropane-1-carboxamide?
2,2-dichloro-N-[(4-nitrophenyl)methylsulfonyl]cyclopropane-1-carboxamide has a molecular weight of 353.18 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[(4-nitrophenyl)methylsulfonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 78895563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).