4-nitro-N-(2,3,4,6-tetramethylphenyl)benzenesulfonamide

C16H18N2O4S — CID 101434437

IUPAC4-nitro-N-(2,3,4,6-tetramethylphenyl)benzenesulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1C
InChIInChI=1S/C16H18N2O4S/c1-10-9-11(2)16(13(4)12(10)3)17-23(21,22)15-7-5-14(6-8-15)18(19)20/h5-9,17H,1-4H3
InChIKeyNOLYEBFTMOXAIM-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.63
Rot. Bonds4

About 4-nitro-N-(2,3,4,6-tetramethylphenyl)benzenesulfonamide

4-nitro-N-(2,3,4,6-tetramethylphenyl)benzenesulfonamide (PubChem CID 101434437) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-nitro-N-(2,3,4,6-tetramethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-nitro-N-(2,3,4,6-tetramethylphenyl)benzenesulfonamide
PubChem CID101434437
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name4-nitro-N-(2,3,4,6-tetramethylphenyl)benzenesulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1C
InChIInChI=1S/C16H18N2O4S/c1-10-9-11(2)16(13(4)12(10)3)17-23(21,22)15-7-5-14(6-8-15)18(19)20/h5-9,17H,1-4H3
InChIKeyNOLYEBFTMOXAIM-UHFFFAOYSA-N
XLogP3.63
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.63
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

4-nitro-N-(2,3,5,6-tetramethylphenyl)benzenesulfonamide
CID 101434435
4-nitro-N-(2,3,4,5,6-pentamethylphenyl)benzenesulfonamide
CID 101434436
N-(2,6-dimethylphenyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2219506
N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide
CID 7514342
N-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide
CID 796499
N-(2-fluoro-6-methyl-4-nitrophenyl)-4-methylbenzenesulfonamide
CID 169371685
N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzenesulfonamide
CID 898813
N-(3-bromo-4-methylphenyl)-4-nitrobenzenesulfonamide;ethane
CID 156650694
N-(3-methoxy-4-methylphenyl)-4-nitrobenzenesulfonamide
CID 170925249
N-(2,4-dimethylphenyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2711951
N-(5-methyl-1,2-oxazol-3-yl)-4-(4-nitrophenoxy)benzenesulfonamide
CID 2907889
3-nitro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202762

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(2,3,4,6-tetramethylphenyl)benzenesulfonamide?
The IUPAC name of 4-nitro-N-(2,3,4,6-tetramethylphenyl)benzenesulfonamide (CID 101434437) is 4-nitro-N-(2,3,4,6-tetramethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-nitro-N-(2,3,4,6-tetramethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-nitro-N-(2,3,4,6-tetramethylphenyl)benzenesulfonamide is Cc1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1C.
What is the InChIKey of 4-nitro-N-(2,3,4,6-tetramethylphenyl)benzenesulfonamide?
The InChIKey is NOLYEBFTMOXAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-10-9-11(2)16(13(4)12(10)3)17-23(21,22)15-7-5-14(6-8-15)18(19)20/h5-9,17H,1-4H3.
What are the key properties of 4-nitro-N-(2,3,4,6-tetramethylphenyl)benzenesulfonamide?
4-nitro-N-(2,3,4,6-tetramethylphenyl)benzenesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(2,3,4,6-tetramethylphenyl)benzenesulfonamide is sourced from PubChem (CID 101434437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).