2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide

C13H13N3O4S — CID 62143538

IUPAC2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C13H13N3O4S/c1-9-4-2-3-5-12(9)15-21(19,20)13-7-6-10(16(17)18)8-11(13)14/h2-8,15H,14H2,1H3
InChIKeyIEGABPRCQYWGAB-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.29
Rot. Bonds4

About 2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide

2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide (PubChem CID 62143538) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide
PubChem CID62143538
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C13H13N3O4S/c1-9-4-2-3-5-12(9)15-21(19,20)13-7-6-10(16(17)18)8-11(13)14/h2-8,15H,14H2,1H3
InChIKeyIEGABPRCQYWGAB-UHFFFAOYSA-N
XLogP2.29
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 43605579
2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28522742
N-(2-methylphenyl)-2-nitrobenzenesulfonamide
CID 786523
2-amino-N-(2-fluoro-4-nitrophenyl)benzenesulfonamide
CID 62153847
N-(2-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7107842
N-(2-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2944627
2-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 60640802
2-amino-N-(3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide
CID 62162658
4-amino-2-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 43256224
2-amino-4-nitro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107589863
2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide
CID 2961153
N-(2,5-dimethylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7573611

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide (CID 62143538) is 2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N.
What is the InChIKey of 2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide?
The InChIKey is IEGABPRCQYWGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-9-4-2-3-5-12(9)15-21(19,20)13-7-6-10(16(17)18)8-11(13)14/h2-8,15H,14H2,1H3.
What are the key properties of 2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide?
2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide has a molecular weight of 307.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 62143538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).