N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(methylamino)-5-nitrobenzamide

C18H22N4O5S — CID 16963347

IUPACN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(methylamino)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C
InChIInChI=1S/C18H22N4O5S/c1-11-8-14(28(26,27)21(4)5)10-17(12(11)2)20-18(23)15-9-13(22(24)25)6-7-16(15)19-3/h6-10,19H,1-5H3,(H,20,23)
InChIKeyOUKJYMJYMMYFMV-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.76
Rot. Bonds6

About N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(methylamino)-5-nitrobenzamide

N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(methylamino)-5-nitrobenzamide (PubChem CID 16963347) has the molecular formula C18H22N4O5S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(methylamino)-5-nitrobenzamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(methylamino)-5-nitrobenzamide
PubChem CID16963347
Molecular FormulaC18H22N4O5S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC NameN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(methylamino)-5-nitrobenzamide
SMILESCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C
InChIInChI=1S/C18H22N4O5S/c1-11-8-14(28(26,27)21(4)5)10-17(12(11)2)20-18(23)15-9-13(22(24)25)6-7-16(15)19-3/h6-10,19H,1-5H3,(H,20,23)
InChIKeyOUKJYMJYMMYFMV-UHFFFAOYSA-N
XLogP2.76
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)-5-nitrobenzamide
CID 16963244
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 55396241
N-(2,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16962982
N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963040
N-(2-chloro-4-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963066
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 55396338
2-chloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide
CID 16564311
N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 24531986
4-(dimethylsulfamoyl)-N-(2,4-dinitrophenyl)benzamide
CID 3956705
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-3,5-dimethylbenzamide
CID 27832740
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]quinoline-4-carboxamide
CID 78812993
2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide
CID 16963020

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(methylamino)-5-nitrobenzamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(methylamino)-5-nitrobenzamide (CID 16963347) is N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(methylamino)-5-nitrobenzamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(methylamino)-5-nitrobenzamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(methylamino)-5-nitrobenzamide is CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(S(=O)(=O)N(C)C)cc(C)c1C.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(methylamino)-5-nitrobenzamide?
The InChIKey is OUKJYMJYMMYFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5S/c1-11-8-14(28(26,27)21(4)5)10-17(12(11)2)20-18(23)15-9-13(22(24)25)6-7-16(15)19-3/h6-10,19H,1-5H3,(H,20,23).
What are the key properties of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(methylamino)-5-nitrobenzamide?
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(methylamino)-5-nitrobenzamide has a molecular weight of 406.46 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-2-(methylamino)-5-nitrobenzamide is sourced from PubChem (CID 16963347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).