2-methylsulfonyl-3-nitrobenzenesulfonamide

C7H8N2O6S2 — CID 142790539

IUPAC2-methylsulfonyl-3-nitrobenzenesulfonamide
SMILESCS(=O)(=O)c1c([N+](=O)[O-])cccc1S(N)(=O)=O
InChIInChI=1S/C7H8N2O6S2/c1-16(12,13)7-5(9(10)11)3-2-4-6(7)17(8,14)15/h2-4H,1H3,(H2,8,14,15)
InChIKeyCCSVZLADANBGMT-UHFFFAOYSA-N
MW280.28 g/mol
LogP-0.35
Rot. Bonds3

About 2-methylsulfonyl-3-nitrobenzenesulfonamide

2-methylsulfonyl-3-nitrobenzenesulfonamide (PubChem CID 142790539) has the molecular formula C7H8N2O6S2 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-methylsulfonyl-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-methylsulfonyl-3-nitrobenzenesulfonamide
PubChem CID142790539
Molecular FormulaC7H8N2O6S2
Molecular Weight280.28 g/mol
Exact Mass279.98
IUPAC Name2-methylsulfonyl-3-nitrobenzenesulfonamide
SMILESCS(=O)(=O)c1c([N+](=O)[O-])cccc1S(N)(=O)=O
InChIInChI=1S/C7H8N2O6S2/c1-16(12,13)7-5(9(10)11)3-2-4-6(7)17(8,14)15/h2-4H,1H3,(H2,8,14,15)
InChIKeyCCSVZLADANBGMT-UHFFFAOYSA-N
XLogP-0.35
TPSA137.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methylsulfonyl-3-nitrobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-methylsulfonyl-3-nitrobenzene
CID 11746002
ethane;1-methylsulfonyl-2-nitrobenzene
CID 143845795
3-fluoro-2-methyl-4-nitrobenzenesulfonamide
CID 135743403
3-methyl-2,4-dinitrobenzenesulfonamide
CID 87787870
1-nitro-2-(2-nitrophenyl)sulfonylsulfonylbenzene
CID 54533031
N-(4-hydroxy-3-sulfamoylphenyl)-2-methyl-6-nitrobenzenesulfonamide
CID 75392215
2-(2-methyl-6-nitrophenyl)sulfonylethanesulfonamide
CID 113334102
(2-nitrophenyl)sulfonylazanide;uranium
CID 169307604
2-methyl-1-nitro-3-(sulfamoylamino)benzene
CID 112573289
2-(3-nitro-2-pyridinyl)-3-phenylbenzenesulfonamide
CID 67283476
N-cyclopropyl-2-methylsulfonyl-6-nitroaniline
CID 67431788
2-[2-(2-hydroxyethylsulfonyl)-3-nitrophenyl]sulfonylethanol
CID 160583182

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-3-nitrobenzenesulfonamide?
The IUPAC name of 2-methylsulfonyl-3-nitrobenzenesulfonamide (CID 142790539) is 2-methylsulfonyl-3-nitrobenzenesulfonamide.
What is the SMILES notation for 2-methylsulfonyl-3-nitrobenzenesulfonamide?
The canonical SMILES for 2-methylsulfonyl-3-nitrobenzenesulfonamide is CS(=O)(=O)c1c([N+](=O)[O-])cccc1S(N)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-3-nitrobenzenesulfonamide?
The InChIKey is CCSVZLADANBGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O6S2/c1-16(12,13)7-5(9(10)11)3-2-4-6(7)17(8,14)15/h2-4H,1H3,(H2,8,14,15).
What are the key properties of 2-methylsulfonyl-3-nitrobenzenesulfonamide?
2-methylsulfonyl-3-nitrobenzenesulfonamide has a molecular weight of 280.28 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-3-nitrobenzenesulfonamide is sourced from PubChem (CID 142790539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).