N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-nitrobenzamide

C17H19N3O5S — CID 25435478

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H19N3O5S/c1-11-5-7-13(9-15(11)20(22)23)17(21)18-14-8-6-12(2)16(10-14)26(24,25)19(3)4/h5-10H,1-4H3,(H,18,21)
InChIKeyWZKSZGDLNODCMO-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.71
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-nitrobenzamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-nitrobenzamide (PubChem CID 25435478) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-nitrobenzamide
PubChem CID25435478
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-nitrobenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H19N3O5S/c1-11-5-7-13(9-15(11)20(22)23)17(21)18-14-8-6-12(2)16(10-14)26(24,25)19(3)4/h5-10H,1-4H3,(H,18,21)
InChIKeyWZKSZGDLNODCMO-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

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-methyl-4-nitrobenzamide
CID 9106568
4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonic acid
CID 3019589
N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
sodium 4-[(4-methyl-3-nitrobenzoyl)amino]benzenesulfonate
CID 3019588
4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-nitrobenzamide
CID 126154265
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(2-nitrophenyl)acetamide
CID 25435774
N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide
CID 711327
N-(3,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 779436
4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide
CID 24635521
methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate
CID 110295930
4-methyl-N-[4-[[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]methyl]phenyl]-3-nitrobenzamide
CID 3443089

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-nitrobenzamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-nitrobenzamide (CID 25435478) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-nitrobenzamide is Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-].
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-nitrobenzamide?
The InChIKey is WZKSZGDLNODCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-11-5-7-13(9-15(11)20(22)23)17(21)18-14-8-6-12(2)16(10-14)26(24,25)19(3)4/h5-10H,1-4H3,(H,18,21).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-nitrobenzamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-nitrobenzamide 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-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 25435478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).