2,4-dimethyl-3-nitrobenzenesulfonamide

C8H10N2O4S — CID 118990328

IUPAC2,4-dimethyl-3-nitrobenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O4S/c1-5-3-4-7(15(9,13)14)6(2)8(5)10(11)12/h3-4H,1-2H3,(H2,9,13,14)
InChIKeyQYFQGFMUDBDRIA-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.86
Rot. Bonds2

About 2,4-dimethyl-3-nitrobenzenesulfonamide

2,4-dimethyl-3-nitrobenzenesulfonamide (PubChem CID 118990328) has the molecular formula C8H10N2O4S and a molecular weight of 230.25 g/mol. Its IUPAC name is 2,4-dimethyl-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-3-nitrobenzenesulfonamide
PubChem CID118990328
Molecular FormulaC8H10N2O4S
Molecular Weight230.25 g/mol
Exact Mass230.04
IUPAC Name2,4-dimethyl-3-nitrobenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N2O4S/c1-5-3-4-7(15(9,13)14)6(2)8(5)10(11)12/h3-4H,1-2H3,(H2,9,13,14)
InChIKeyQYFQGFMUDBDRIA-UHFFFAOYSA-N
XLogP0.86
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.86
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

3-methyl-2,4-dinitrobenzenesulfonamide
CID 87787870
3-fluoro-2-methyl-4-nitrobenzenesulfonamide
CID 135743403
6-methyl-3-methylsulfonyl-2-nitroaniline
CID 117059426
1,4-dimethyl-2,3-dinitrobenzene
CID 3916406
2-chloro-4-methyl-3-nitrobenzenesulfonyl chloride
CID 13307118
1-chloro-2,4-dimethyl-3-nitrobenzene
CID 20508440
2,6-dimethyl-3-sulfamoylbenzenesulfonic acid
CID 174875522
2-cyano-4-methyl-3-nitrobenzenesulfonyl chloride
CID 131531171
2-methyl-5-nitrobenzenesulfonamide;2-methyl-5-nitrobenzenesulfonyl chloride
CID 159304937
1-bromo-2,3,5-trimethyl-4-nitrobenzene
CID 175398096
4-methyl-3-nitrobenzene-1,2-diamine
CID 3639343
3-bromo-4-fluoro-2-nitrobenzenesulfonamide
CID 131342277

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-nitrobenzenesulfonamide?
The IUPAC name of 2,4-dimethyl-3-nitrobenzenesulfonamide (CID 118990328) is 2,4-dimethyl-3-nitrobenzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-3-nitrobenzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-3-nitrobenzenesulfonamide is Cc1ccc(S(N)(=O)=O)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2,4-dimethyl-3-nitrobenzenesulfonamide?
The InChIKey is QYFQGFMUDBDRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-5-3-4-7(15(9,13)14)6(2)8(5)10(11)12/h3-4H,1-2H3,(H2,9,13,14).
What are the key properties of 2,4-dimethyl-3-nitrobenzenesulfonamide?
2,4-dimethyl-3-nitrobenzenesulfonamide has a molecular weight of 230.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-nitrobenzenesulfonamide is sourced from PubChem (CID 118990328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).