N-methyl-4-(2-methyl-5-nitrophenyl)benzenesulfonamide

C14H14N2O4S — CID 110453871

IUPACN-methyl-4-(2-methyl-5-nitrophenyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2C)cc1
InChIInChI=1S/C14H14N2O4S/c1-10-3-6-12(16(17)18)9-14(10)11-4-7-13(8-5-11)21(19,20)15-2/h3-9,15H,1-2H3
InChIKeyUUCWSGLQMGLLRK-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.48
Rot. Bonds4

About N-methyl-4-(2-methyl-5-nitrophenyl)benzenesulfonamide

N-methyl-4-(2-methyl-5-nitrophenyl)benzenesulfonamide (PubChem CID 110453871) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is N-methyl-4-(2-methyl-5-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(2-methyl-5-nitrophenyl)benzenesulfonamide
PubChem CID110453871
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC NameN-methyl-4-(2-methyl-5-nitrophenyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2C)cc1
InChIInChI=1S/C14H14N2O4S/c1-10-3-6-12(16(17)18)9-14(10)11-4-7-13(8-5-11)21(19,20)15-2/h3-9,15H,1-2H3
InChIKeyUUCWSGLQMGLLRK-UHFFFAOYSA-N
XLogP2.48
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.48
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

4-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 110453851
2-[[4-(2-methyl-5-nitrophenyl)phenyl]sulfonylamino]acetic acid
CID 110454051
N,2-dimethyl-4-nitrobenzenesulfonamide
CID 37477651
5-(2-methyl-5-nitrophenyl)pyrimidine
CID 23503692
1-(4-chlorophenyl)-2-methyl-4-nitrobenzene
CID 57438279
4-[(2-bromo-4-nitroanilino)methyl]-N-methylbenzenesulfonamide
CID 133310257
N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62150039
4-nitro-N-(2,3,5,6-tetramethylphenyl)benzenesulfonamide
CID 101434435
2-ethyl-N-methyl-4-nitrobenzenesulfonamide
CID 158476793
2-(3-methoxyphenyl)-1-methyl-4-nitrobenzene
CID 125478687
2-(dimethylamino)-N-[4-(methylsulfamoyl)phenyl]-5-nitrobenzamide
CID 9188395
2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide
CID 2961153

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methyl-5-nitrophenyl)benzenesulfonamide?
The IUPAC name of N-methyl-4-(2-methyl-5-nitrophenyl)benzenesulfonamide (CID 110453871) is N-methyl-4-(2-methyl-5-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-(2-methyl-5-nitrophenyl)benzenesulfonamide?
The canonical SMILES for N-methyl-4-(2-methyl-5-nitrophenyl)benzenesulfonamide is CNS(=O)(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2C)cc1.
What is the InChIKey of N-methyl-4-(2-methyl-5-nitrophenyl)benzenesulfonamide?
The InChIKey is UUCWSGLQMGLLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-10-3-6-12(16(17)18)9-14(10)11-4-7-13(8-5-11)21(19,20)15-2/h3-9,15H,1-2H3.
What are the key properties of N-methyl-4-(2-methyl-5-nitrophenyl)benzenesulfonamide?
N-methyl-4-(2-methyl-5-nitrophenyl)benzenesulfonamide has a molecular weight of 306.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methyl-5-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 110453871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).