2,4,6-trimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide

C16H17N3O4S — CID 15922018

IUPAC2,4,6-trimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(C)c1
InChIInChI=1S/C16H17N3O4S/c1-11-8-12(2)16(13(3)9-11)24(22,23)18-17-10-14-4-6-15(7-5-14)19(20)21/h4-10,18H,1-3H3/b17-10+
InChIKeyXHHKRJXEJDRAFF-LICLKQGHSA-N
MW347.40 g/mol
LogP2.83
Rot. Bonds5

About 2,4,6-trimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide

2,4,6-trimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide (PubChem CID 15922018) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
PubChem CID15922018
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name2,4,6-trimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(C)c1
InChIInChI=1S/C16H17N3O4S/c1-11-8-12(2)16(13(3)9-11)24(22,23)18-17-10-14-4-6-15(7-5-14)19(20)21/h4-10,18H,1-3H3/b17-10+
InChIKeyXHHKRJXEJDRAFF-LICLKQGHSA-N
XLogP2.83
TPSA101.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,4,6-trimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 6892752
N-[(E)-(4-tert-butylphenyl)methylideneamino]-2,4,6-trimethylbenzenesulfonamide
CID 110516894
N-[(E)-(4-methylphenyl)methylideneamino]-3-nitrobenzenesulfonamide
CID 110517404
4-bromo-N-[(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 1027931
3,4-dimethoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 110517562
4-methyl-N-[(4-methylphenyl)methylideneamino]-3-nitrobenzenesulfonamide
CID 4858281
4-methyl-N-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 2279269
4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 5377402
4-(4-methylphenyl)sulfonyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 9461260
[3-[(Z)-[(2,4,6-trimethylphenyl)sulfonylhydrazinylidene]methyl]phenyl]boronic acid
CID 67451502
N-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine
CID 792021
N-[(5-methylfuran-2-yl)methylideneamino]-4-nitrobenzenesulfonamide
CID 842355

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide (CID 15922018) is 2,4,6-trimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide?
The InChIKey is XHHKRJXEJDRAFF-LICLKQGHSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-11-8-12(2)16(13(3)9-11)24(22,23)18-17-10-14-4-6-15(7-5-14)19(20)21/h4-10,18H,1-3H3/b17-10+.
What are the key properties of 2,4,6-trimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide?
2,4,6-trimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide has a molecular weight of 347.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 15922018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).