N,N,4-trimethyl-3-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide

C17H19N3O5S — CID 60534815

IUPACN,N,4-trimethyl-3-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H19N3O5S/c1-11-8-9-13(17(21)19(3)4)10-14(11)18-26(24,25)16-12(2)6-5-7-15(16)20(22)23/h5-10,18H,1-4H3
InChIKeyIBWHJZIVEZUUAY-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.71
Rot. Bonds5

About N,N,4-trimethyl-3-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide

N,N,4-trimethyl-3-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide (PubChem CID 60534815) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is N,N,4-trimethyl-3-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN,N,4-trimethyl-3-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide
PubChem CID60534815
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC NameN,N,4-trimethyl-3-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H19N3O5S/c1-11-8-9-13(17(21)19(3)4)10-14(11)18-26(24,25)16-12(2)6-5-7-15(16)20(22)23/h5-10,18H,1-4H3
InChIKeyIBWHJZIVEZUUAY-UHFFFAOYSA-N
XLogP2.71
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
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

4-chloro-N,N-dimethyl-2-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide
CID 55896087
N,N,4-trimethyl-3-(naphthalen-2-ylsulfonylamino)benzamide
CID 60534940
N-(2-aminophenyl)-2-methyl-6-nitrobenzenesulfonamide
CID 43605528
N-(2,4-difluorophenyl)-2-methyl-6-nitrobenzenesulfonamide
CID 60532982
N,N,4-trimethyl-3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzamide
CID 154839852
N,2-dimethyl-6-nitrobenzenesulfonamide
CID 43446418
N,N,4-trimethyl-3-(propan-2-ylsulfonylamino)benzamide
CID 62999680
3-[(5-fluoro-2-methylphenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 87026306
N-(4-bromo-3-methylphenyl)-2-methyl-6-nitrobenzenesulfonamide
CID 55731702
2-methyl-N-(2-methyl-4-thiomorpholin-4-ylphenyl)-6-nitrobenzenesulfonamide
CID 49370784
3-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
CID 39833364
N-(4-hydroxy-3-sulfamoylphenyl)-2-methyl-6-nitrobenzenesulfonamide
CID 75392215

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide?
The IUPAC name of N,N,4-trimethyl-3-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide (CID 60534815) is N,N,4-trimethyl-3-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N,N,4-trimethyl-3-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide?
The canonical SMILES for N,N,4-trimethyl-3-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide is Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-].
What is the InChIKey of N,N,4-trimethyl-3-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide?
The InChIKey is IBWHJZIVEZUUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-11-8-9-13(17(21)19(3)4)10-14(11)18-26(24,25)16-12(2)6-5-7-15(16)20(22)23/h5-10,18H,1-4H3.
What are the key properties of N,N,4-trimethyl-3-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide?
N,N,4-trimethyl-3-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide has a molecular weight of 377.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-3-[(2-methyl-6-nitrophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 60534815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).