N-(2,4-dimethylphenyl)-1-(3-nitrophenyl)methanesulfonamide

C15H16N2O4S — CID 38007901

IUPACN-(2,4-dimethylphenyl)-1-(3-nitrophenyl)methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(C)c1
InChIInChI=1S/C15H16N2O4S/c1-11-6-7-15(12(2)8-11)16-22(20,21)10-13-4-3-5-14(9-13)17(18)19/h3-9,16H,10H2,1-2H3
InChIKeyRSWSUIHSRXUGER-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.15
Rot. Bonds5

About N-(2,4-dimethylphenyl)-1-(3-nitrophenyl)methanesulfonamide

N-(2,4-dimethylphenyl)-1-(3-nitrophenyl)methanesulfonamide (PubChem CID 38007901) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(3-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(3-nitrophenyl)methanesulfonamide
PubChem CID38007901
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC NameN-(2,4-dimethylphenyl)-1-(3-nitrophenyl)methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(C)c1
InChIInChI=1S/C15H16N2O4S/c1-11-6-7-15(12(2)8-11)16-22(20,21)10-13-4-3-5-14(9-13)17(18)19/h3-9,16H,10H2,1-2H3
InChIKeyRSWSUIHSRXUGER-UHFFFAOYSA-N
XLogP3.15
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.15
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

1-(3-nitrophenyl)-N-(2,4,6-trimethylphenyl)methanesulfonamide
CID 92682818
4-methylbenzenesulfonic acid;N-methyl-1-(3-nitrophenyl)methanesulfonamide
CID 174190837
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-1-(3-nitrophenyl)methanesulfonamide
CID 92677491
N-(2,4-dimethylpentan-3-yl)-1-(3-nitrophenyl)methanesulfonamide
CID 92673912
N-(3-chloro-4-methylphenyl)-4-[(3-nitrophenyl)methylsulfonylamino]benzenesulfonamide
CID 43909414
2-[(3-nitrophenyl)methylsulfonylamino]-N-propylbenzamide
CID 28635564
N-[2-(dimethylamino)ethyl]-1-(3-nitrophenyl)methanesulfonamide
CID 76850007
ethyl 3-[(3-nitrophenyl)methylsulfonylamino]benzoate
CID 28636555
(3-nitrophenyl)methanesulfonic acid;hydrochloride
CID 174623089
1-methyl-3-[(3-nitrophenyl)methyl]benzene
CID 18724473
(3-nitrophenyl)methyl 4-(2,4-dimethylanilino)-4-oxobutanoate
CID 3622585
N-[(4-methoxyphenyl)methyl]-1-(3-nitrophenyl)methanesulfonamide
CID 92672171

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-(3-nitrophenyl)methanesulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(3-nitrophenyl)methanesulfonamide (CID 38007901) is N-(2,4-dimethylphenyl)-1-(3-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(3-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(3-nitrophenyl)methanesulfonamide is Cc1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(3-nitrophenyl)methanesulfonamide?
The InChIKey is RSWSUIHSRXUGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-11-6-7-15(12(2)8-11)16-22(20,21)10-13-4-3-5-14(9-13)17(18)19/h3-9,16H,10H2,1-2H3.
What are the key properties of N-(2,4-dimethylphenyl)-1-(3-nitrophenyl)methanesulfonamide?
N-(2,4-dimethylphenyl)-1-(3-nitrophenyl)methanesulfonamide has a molecular weight of 320.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-(3-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 38007901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).