N-[(2,4-dichlorophenyl)methyl]-1-(3-nitrophenyl)methanesulfonamide

C14H12Cl2N2O4S — CID 46770850

IUPACN-[(2,4-dichlorophenyl)methyl]-1-(3-nitrophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H12Cl2N2O4S/c15-12-5-4-11(14(16)7-12)8-17-23(21,22)9-10-2-1-3-13(6-10)18(19)20/h1-7,17H,8-9H2
InChIKeyXSDRDRUNUYXRJZ-UHFFFAOYSA-N
MW375.23 g/mol
LogP3.52
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-1-(3-nitrophenyl)methanesulfonamide

N-[(2,4-dichlorophenyl)methyl]-1-(3-nitrophenyl)methanesulfonamide (PubChem CID 46770850) has the molecular formula C14H12Cl2N2O4S and a molecular weight of 375.23 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-1-(3-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-1-(3-nitrophenyl)methanesulfonamide
PubChem CID46770850
Molecular FormulaC14H12Cl2N2O4S
Molecular Weight375.23 g/mol
Exact Mass373.99
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-1-(3-nitrophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H12Cl2N2O4S/c15-12-5-4-11(14(16)7-12)8-17-23(21,22)9-10-2-1-3-13(6-10)18(19)20/h1-7,17H,8-9H2
InChIKeyXSDRDRUNUYXRJZ-UHFFFAOYSA-N
XLogP3.52
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2,4-dichlorophenyl)methyl]-4-nitrobenzenesulfonamide
CID 1260783
N-[(4-methoxyphenyl)methyl]-1-(3-nitrophenyl)methanesulfonamide
CID 92672171
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(3-nitrophenyl)methanesulfonamide
CID 97088385
1-(5-cyano-2-fluorophenyl)-N-[(3-nitrophenyl)methyl]methanesulfonamide
CID 75437668
(3-nitrophenyl)methyl 2-(2,4-dichlorophenyl)acetate
CID 4165580
N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 115762160
N-[2-(dimethylamino)ethyl]-1-(3-nitrophenyl)methanesulfonamide
CID 76850007
1-(4-chloro-2-cyanophenyl)-N-[(2,4-dichlorophenyl)methyl]methanesulfonamide
CID 75447876
2-[(2,4-dichlorophenyl)methylamino]-4-nitrobenzenesulfonamide
CID 133462753
(3-nitrophenyl)methanesulfonic acid;hydrochloride
CID 174623089
1-[(3-chlorophenyl)methyl]-3-nitrobenzene
CID 57038379
N-(2,4-dimethylpentan-3-yl)-1-(3-nitrophenyl)methanesulfonamide
CID 92673912

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(3-nitrophenyl)methanesulfonamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(3-nitrophenyl)methanesulfonamide (CID 46770850) is N-[(2,4-dichlorophenyl)methyl]-1-(3-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-1-(3-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-1-(3-nitrophenyl)methanesulfonamide is O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-1-(3-nitrophenyl)methanesulfonamide?
The InChIKey is XSDRDRUNUYXRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O4S/c15-12-5-4-11(14(16)7-12)8-17-23(21,22)9-10-2-1-3-13(6-10)18(19)20/h1-7,17H,8-9H2.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-1-(3-nitrophenyl)methanesulfonamide?
N-[(2,4-dichlorophenyl)methyl]-1-(3-nitrophenyl)methanesulfonamide has a molecular weight of 375.23 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-1-(3-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 46770850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).