2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide

C19H16N2O4S — CID 2961153

IUPAC2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C19H16N2O4S/c1-14-11-12-16(21(22)23)13-19(14)26(24,25)20-18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-13,20H,1H3
InChIKeyKYTXETZJXWGKAL-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.37
Rot. Bonds5

About 2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide

2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide (PubChem CID 2961153) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide
PubChem CID2961153
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C19H16N2O4S/c1-14-11-12-16(21(22)23)13-19(14)26(24,25)20-18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-13,20H,1H3
InChIKeyKYTXETZJXWGKAL-UHFFFAOYSA-N
XLogP4.37
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.37
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-aminophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 43605579
N-(2-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2944627
N-(2-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7107842
N-(2,5-dimethylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7573611
1,1-dimethyl-3-[2-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]urea
CID 55811259
2-methyl-5-nitro-N-[4-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 21173747
2-methyl-N-(2-methylquinolin-8-yl)-5-nitrobenzenesulfonamide
CID 16759952
4-bromo-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
CID 166373629
N-(4-chloro-2-methylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 21368314
4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
CID 19684190
2-[(2-methyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 40690037
N-(4-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2920673

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide?
The IUPAC name of 2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide (CID 2961153) is 2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide?
The InChIKey is KYTXETZJXWGKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-14-11-12-16(21(22)23)13-19(14)26(24,25)20-18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-13,20H,1H3.
What are the key properties of 2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide?
2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide has a molecular weight of 368.41 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 2961153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).