N,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide

C15H15N3O5S — CID 24629243

IUPACN,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide
SMILESCN(C)C(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H15N3O5S/c1-17(2)15(19)11-4-3-5-12(10-11)16-24(22,23)14-8-6-13(7-9-14)18(20)21/h3-10,16H,1-2H3
InChIKeyZXMDCKDNXWOPTM-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.10
Rot. Bonds5

About N,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide

N,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide (PubChem CID 24629243) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is N,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide
PubChem CID24629243
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC NameN,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide
SMILESCN(C)C(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H15N3O5S/c1-17(2)15(19)11-4-3-5-12(10-11)16-24(22,23)14-8-6-13(7-9-14)18(20)21/h3-10,16H,1-2H3
InChIKeyZXMDCKDNXWOPTM-UHFFFAOYSA-N
XLogP2.10
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.10
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

3-[(4-nitrophenyl)sulfonylamino]benzoic acid
CID 7938678
methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 24629326
3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629312
3-[[4-(4-nitrophenoxy)phenyl]sulfonylamino]benzoic acid
CID 1116085
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629266
N-[3-(dimethylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 17231768
4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 110676906
3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629283
3-[(3-nitrophenyl)sulfonylamino]benzoate
CID 7452082
N-(3-chlorophenyl)-4-nitrobenzenesulfonamide
CID 2302993
2-[[3-[(4-nitrophenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 3761371
N,N-dimethyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 171822680

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide?
The IUPAC name of N,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide (CID 24629243) is N,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide is CN(C)C(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide?
The InChIKey is ZXMDCKDNXWOPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-17(2)15(19)11-4-3-5-12(10-11)16-24(22,23)14-8-6-13(7-9-14)18(20)21/h3-10,16H,1-2H3.
What are the key properties of N,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide?
N,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide has a molecular weight of 349.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 24629243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).