N-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide

C16H18N2O4S — CID 7938611

IUPACN-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H18N2O4S/c1-11(2)13-5-8-15(9-6-13)23(21,22)17-16-10-14(18(19)20)7-4-12(16)3/h4-11,17H,1-3H3
InChIKeyUVKUURWTPHZIIA-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.83
Rot. Bonds5

About N-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide

N-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 7938611) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID7938611
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H18N2O4S/c1-11(2)13-5-8-15(9-6-13)23(21,22)17-16-10-14(18(19)20)7-4-12(16)3/h4-11,17H,1-3H3
InChIKeyUVKUURWTPHZIIA-UHFFFAOYSA-N
XLogP3.83
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.83
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-nitro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenolate
CID 7938828
N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
CID 22774306
N-(2,5-dimethylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 7573896
4-fluoro-3-methyl-N-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 98674097
N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide
CID 7514342
2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide
CID 61051309
3,4-dimethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 22774279
4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 7510436
N-(2,5-dimethylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7573611
N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide
CID 971680
5-cyano-N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide
CID 106269563
N-(2-amino-5-nitrophenyl)-4-chlorobenzenesulfonamide
CID 4313081

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide (CID 7938611) is N-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide is Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is UVKUURWTPHZIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-11(2)13-5-8-15(9-6-13)23(21,22)17-16-10-14(18(19)20)7-4-12(16)3/h4-11,17H,1-3H3.
What are the key properties of N-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide?
N-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 7938611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).