2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide

C15H15N3O5S — CID 39846212

IUPAC2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(N)=O)c2C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O5S/c1-9-6-7-11(8-14(9)18(20)21)24(22,23)17-13-5-3-4-12(10(13)2)15(16)19/h3-8,17H,1-2H3,(H2,16,19)
InChIKeyIGLWMLQHHCNMGV-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.11
Rot. Bonds5

About 2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide

2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide (PubChem CID 39846212) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
PubChem CID39846212
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(N)=O)c2C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O5S/c1-9-6-7-11(8-14(9)18(20)21)24(22,23)17-13-5-3-4-12(10(13)2)15(16)19/h3-8,17H,1-2H3,(H2,16,19)
InChIKeyIGLWMLQHHCNMGV-UHFFFAOYSA-N
XLogP2.11
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[[4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 55439570
N-(2-chloro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 87933653
3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide
CID 39846088
N-(2,3-dichlorophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 3322444
N-(2-iodophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 563423
3-hydroxy-N-(2-methyl-3-nitrophenyl)benzenesulfonamide
CID 107810881
3-[(3,4-dimethylphenyl)sulfonylamino]-2-methylbenzoic acid
CID 60603862
2-methyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 39846063
3-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzamide
CID 47073253
4-methyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzenesulfonamide
CID 43069459
N-(3-acetylphenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 2929512
methyl 4,5-dimethoxy-2-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoate
CID 4824340

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide?
The IUPAC name of 2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide (CID 39846212) is 2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide.
What is the SMILES notation for 2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide?
The canonical SMILES for 2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(N)=O)c2C)cc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide?
The InChIKey is IGLWMLQHHCNMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-9-6-7-11(8-14(9)18(20)21)24(22,23)17-13-5-3-4-12(10(13)2)15(16)19/h3-8,17H,1-2H3,(H2,16,19).
What are the key properties of 2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide?
2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide has a molecular weight of 349.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 39846212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).