N-(2-ethenyl-6-nitrophenyl)-4-methylbenzenesulfonamide

C15H14N2O4S — CID 178015198

IUPACN-(2-ethenyl-6-nitrophenyl)-4-methylbenzenesulfonamide
SMILESC=Cc1cccc([N+](=O)[O-])c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H14N2O4S/c1-3-12-5-4-6-14(17(18)19)15(12)16-22(20,21)13-9-7-11(2)8-10-13/h3-10,16H,1H2,2H3
InChIKeyNIVBPGSTGAMPRO-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.35
Rot. Bonds5

About N-(2-ethenyl-6-nitrophenyl)-4-methylbenzenesulfonamide

N-(2-ethenyl-6-nitrophenyl)-4-methylbenzenesulfonamide (PubChem CID 178015198) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(2-ethenyl-6-nitrophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethenyl-6-nitrophenyl)-4-methylbenzenesulfonamide
PubChem CID178015198
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC NameN-(2-ethenyl-6-nitrophenyl)-4-methylbenzenesulfonamide
SMILESC=Cc1cccc([N+](=O)[O-])c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H14N2O4S/c1-3-12-5-4-6-14(17(18)19)15(12)16-22(20,21)13-9-7-11(2)8-10-13/h3-10,16H,1H2,2H3
InChIKeyNIVBPGSTGAMPRO-UHFFFAOYSA-N
XLogP3.35
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.35
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-ethenyl-5-methylphenyl)-4-methylbenzenesulfonamide
CID 163208817
N-(2,4-dibromo-6-nitrophenyl)-4-methylbenzenesulfonamide
CID 169370091
4-methyl-N-(6-nitro-1,3-benzodioxol-5-yl)benzenesulfonamide
CID 169371408
2-methyl-N-(4-methylphenyl)-3-nitrobenzenesulfonamide
CID 38771912
N-(2-bromo-3-fluoro-6-methyl-4-nitrophenyl)-4-methylbenzenesulfonamide
CID 169371227
N-(2-bromo-4-tert-butyl-6-nitrophenyl)-4-methylbenzenesulfonamide
CID 169370316
4-methoxy-N-(2-methoxy-6-nitrophenyl)benzenesulfonamide;propane
CID 156722661
N-(3,5-dinitrophenyl)-4-methylbenzenesulfonamide
CID 169370127
N-(3-bromo-4-methyl-5-nitrophenyl)-4-methylbenzenesulfonamide
CID 169373129
N-(4-amino-2-methyl-5-nitrophenyl)-4-methylbenzenesulfonamide
CID 18413392
N-[4-bromo-2-nitro-6-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169370176
N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 3266243

Frequently Asked Questions

What is the IUPAC name of N-(2-ethenyl-6-nitrophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-ethenyl-6-nitrophenyl)-4-methylbenzenesulfonamide (CID 178015198) is N-(2-ethenyl-6-nitrophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethenyl-6-nitrophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-ethenyl-6-nitrophenyl)-4-methylbenzenesulfonamide is C=Cc1cccc([N+](=O)[O-])c1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-ethenyl-6-nitrophenyl)-4-methylbenzenesulfonamide?
The InChIKey is NIVBPGSTGAMPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-3-12-5-4-6-14(17(18)19)15(12)16-22(20,21)13-9-7-11(2)8-10-13/h3-10,16H,1H2,2H3.
What are the key properties of N-(2-ethenyl-6-nitrophenyl)-4-methylbenzenesulfonamide?
N-(2-ethenyl-6-nitrophenyl)-4-methylbenzenesulfonamide has a molecular weight of 318.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenyl-6-nitrophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 178015198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).