N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide

C16H17N3O6S — CID 7921738

IUPACN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H17N3O6S/c1-18(2)26(23,24)13-7-8-15(25-3)14(10-13)17-16(20)11-5-4-6-12(9-11)19(21)22/h4-10H,1-3H3,(H,17,20)
InChIKeyICUQDGMZWYGQHT-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.11
Rot. Bonds6

About N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide (PubChem CID 7921738) has the molecular formula C16H17N3O6S and a molecular weight of 379.39 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide
PubChem CID7921738
Molecular FormulaC16H17N3O6S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H17N3O6S/c1-18(2)26(23,24)13-7-8-15(25-3)14(10-13)17-16(20)11-5-4-6-12(9-11)19(21)22/h4-10H,1-3H3,(H,17,20)
InChIKeyICUQDGMZWYGQHT-UHFFFAOYSA-N
XLogP2.11
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
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

3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
methyl 3-[[5-(dimethylsulfamoyl)-2-methoxyphenyl]carbamoyl]-5-nitrobenzoate
CID 18209003
3-bromo-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7750690
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide
CID 7921753
3-cyano-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 7750655
N-(2,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 2083463
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)-5-nitrobenzamide
CID 16963244
N-[3-(dimethylsulfamoyl)phenyl]-3-nitrobenzamide
CID 9093681
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide
CID 7750677
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 4795128
3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide
CID 19062366

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide (CID 7921738) is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide?
The InChIKey is ICUQDGMZWYGQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O6S/c1-18(2)26(23,24)13-7-8-15(25-3)14(10-13)17-16(20)11-5-4-6-12(9-11)19(21)22/h4-10H,1-3H3,(H,17,20).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide?
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide has a molecular weight of 379.39 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3-nitrobenzamide is sourced from PubChem (CID 7921738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).