N-(2,3-dimethylphenyl)-3-nitrobenzenesulfonamide

C14H14N2O4S — CID 22773660

IUPACN-(2,3-dimethylphenyl)-3-nitrobenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C
InChIInChI=1S/C14H14N2O4S/c1-10-5-3-8-14(11(10)2)15-21(19,20)13-7-4-6-12(9-13)16(17)18/h3-9,15H,1-2H3
InChIKeyZZVOHQMQEZJMEQ-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.01
Rot. Bonds4

About N-(2,3-dimethylphenyl)-3-nitrobenzenesulfonamide

N-(2,3-dimethylphenyl)-3-nitrobenzenesulfonamide (PubChem CID 22773660) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-nitrobenzenesulfonamide
PubChem CID22773660
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC NameN-(2,3-dimethylphenyl)-3-nitrobenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C
InChIInChI=1S/C14H14N2O4S/c1-10-5-3-8-14(11(10)2)15-21(19,20)13-7-4-6-12(9-13)16(17)18/h3-9,15H,1-2H3
InChIKeyZZVOHQMQEZJMEQ-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-bromo-4-methylphenyl)-3-nitrobenzenesulfonamide
CID 2975037
N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2834884
N-(4-methylphenyl)-3-nitrobenzenesulfonamide;hydrate
CID 90481492
N-(2,4-dibromophenyl)-3-nitrobenzenesulfonamide
CID 22773590
2-N,7-N-bis(2,3-dimethylphenyl)-9-oxofluorene-2,7-disulfonamide
CID 988110
N-(3-hydroxy-4-methylphenyl)-3-nitrobenzenesulfonamide
CID 64794397
3-nitro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202762
N-(4-hydroxy-3-methylphenyl)-3-nitrobenzenesulfonamide
CID 2906277
N'-methyl-3-nitrobenzenesulfonohydrazide
CID 67127032
3-hydroxy-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
CID 107810881
N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide
CID 2885763
N-(3-cyano-4-methyl-1H-indol-7-yl)-3-nitrobenzenesulfonamide
CID 147300883

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-nitrobenzenesulfonamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-nitrobenzenesulfonamide (CID 22773660) is N-(2,3-dimethylphenyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-nitrobenzenesulfonamide is Cc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-nitrobenzenesulfonamide?
The InChIKey is ZZVOHQMQEZJMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-10-5-3-8-14(11(10)2)15-21(19,20)13-7-4-6-12(9-13)16(17)18/h3-9,15H,1-2H3.
What are the key properties of N-(2,3-dimethylphenyl)-3-nitrobenzenesulfonamide?
N-(2,3-dimethylphenyl)-3-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-(2,3-dimethylphenyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 22773660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).