4-methyl-3-[(4-methylphenyl)sulfonylamino]-5-nitrobenzamide

C15H15N3O5S — CID 169371146

IUPAC4-methyl-3-[(4-methylphenyl)sulfonylamino]-5-nitrobenzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(N)=O)cc([N+](=O)[O-])c2C)cc1
InChIInChI=1S/C15H15N3O5S/c1-9-3-5-12(6-4-9)24(22,23)17-13-7-11(15(16)19)8-14(10(13)2)18(20)21/h3-8,17H,1-2H3,(H2,16,19)
InChIKeyMNCUEVNHKNHHAU-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.11
Rot. Bonds5

About 4-methyl-3-[(4-methylphenyl)sulfonylamino]-5-nitrobenzamide

4-methyl-3-[(4-methylphenyl)sulfonylamino]-5-nitrobenzamide (PubChem CID 169371146) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is 4-methyl-3-[(4-methylphenyl)sulfonylamino]-5-nitrobenzamide.

Molecular Properties

Compound Name4-methyl-3-[(4-methylphenyl)sulfonylamino]-5-nitrobenzamide
PubChem CID169371146
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name4-methyl-3-[(4-methylphenyl)sulfonylamino]-5-nitrobenzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(N)=O)cc([N+](=O)[O-])c2C)cc1
InChIInChI=1S/C15H15N3O5S/c1-9-3-5-12(6-4-9)24(22,23)17-13-7-11(15(16)19)8-14(10(13)2)18(20)21/h3-8,17H,1-2H3,(H2,16,19)
InChIKeyMNCUEVNHKNHHAU-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

N-(4-amino-2-methyl-5-nitrophenyl)-4-methylbenzenesulfonamide
CID 18413392
4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 27187010
4-[(dimethylamino)methyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 56806765
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
N-(3-bromo-4-methyl-5-nitrophenyl)-4-methylbenzenesulfonamide
CID 169373129
3-[[4-(cyclopropylsulfamoyl)phenyl]sulfonylamino]-5-fluoro-4-methylbenzamide
CID 55902715
2-methyl-3-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 39846212
N,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062594
4-bromo-N-(5-methyl-2-nitrophenyl)benzenesulfonamide
CID 115912716
4-methyl-N-(6-nitro-1,3-benzodioxol-5-yl)benzenesulfonamide
CID 169371408
N-[2-hydroxy-4-nitro-5-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169373053
N-(4-butyl-2-nitrophenyl)-4-methylbenzenesulfonamide
CID 169370021

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-methylphenyl)sulfonylamino]-5-nitrobenzamide?
The IUPAC name of 4-methyl-3-[(4-methylphenyl)sulfonylamino]-5-nitrobenzamide (CID 169371146) is 4-methyl-3-[(4-methylphenyl)sulfonylamino]-5-nitrobenzamide.
What is the SMILES notation for 4-methyl-3-[(4-methylphenyl)sulfonylamino]-5-nitrobenzamide?
The canonical SMILES for 4-methyl-3-[(4-methylphenyl)sulfonylamino]-5-nitrobenzamide is Cc1ccc(S(=O)(=O)Nc2cc(C(N)=O)cc([N+](=O)[O-])c2C)cc1.
What is the InChIKey of 4-methyl-3-[(4-methylphenyl)sulfonylamino]-5-nitrobenzamide?
The InChIKey is MNCUEVNHKNHHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-9-3-5-12(6-4-9)24(22,23)17-13-7-11(15(16)19)8-14(10(13)2)18(20)21/h3-8,17H,1-2H3,(H2,16,19).
What are the key properties of 4-methyl-3-[(4-methylphenyl)sulfonylamino]-5-nitrobenzamide?
4-methyl-3-[(4-methylphenyl)sulfonylamino]-5-nitrobenzamide 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 4-methyl-3-[(4-methylphenyl)sulfonylamino]-5-nitrobenzamide is sourced from PubChem (CID 169371146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).