N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide

C14H14N2O4S — CID 3266243

IUPACN-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H14N2O4S/c1-10-6-5-7-11(2)14(10)15-21(19,20)13-9-4-3-8-12(13)16(17)18/h3-9,15H,1-2H3
InChIKeyJMLNLSOYAVHNQQ-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.01
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide

N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide (PubChem CID 3266243) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide
PubChem CID3266243
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC NameN-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H14N2O4S/c1-10-6-5-7-11(2)14(10)15-21(19,20)13-9-4-3-8-12(13)16(17)18/h3-9,15H,1-2H3
InChIKeyJMLNLSOYAVHNQQ-UHFFFAOYSA-N
XLogP3.01
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.01
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-methylphenyl)-2-nitrobenzenesulfonamide
CID 786523
methyl 3-methyl-2-[(2-nitrophenyl)sulfonylamino]benzoate
CID 52700388
N-(3,5-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 779865
2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
N-(3-amino-2-methylphenyl)-2-nitrobenzenesulfonamide
CID 43605074
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-nitrobenzenesulfonamide
CID 43547583
N-[2-(methanesulfonamido)phenyl]-2-nitrobenzenesulfonamide
CID 39837774
N-(4-iodophenyl)-2-nitrobenzenesulfonamide
CID 1380183
N-[1-(2-methylphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 42999446
N-naphthalen-1-yl-2-nitrobenzenesulfonamide
CID 681787
N-(3-chlorophenyl)-2-methyl-5-[(2-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 26979178
N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzenesulfonamide
CID 694816

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide (CID 3266243) is N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide is Cc1cccc(C)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide?
The InChIKey is JMLNLSOYAVHNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-10-6-5-7-11(2)14(10)15-21(19,20)13-9-4-3-8-12(13)16(17)18/h3-9,15H,1-2H3.
What are the key properties of N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide?
N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide has a molecular weight of 306.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 3266243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).