N-(2-methyl-3-nitrophenyl)-4-(prop-2-enylsulfamoyl)benzamide

C17H17N3O5S — CID 26796676

IUPACN-(2-methyl-3-nitrophenyl)-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1
InChIInChI=1S/C17H17N3O5S/c1-3-11-18-26(24,25)14-9-7-13(8-10-14)17(21)19-15-5-4-6-16(12(15)2)20(22)23/h3-10,18H,1,11H2,2H3,(H,19,21)
InChIKeyGLZQNLNWZHUQJV-UHFFFAOYSA-N
MW375.41 g/mol
LogP2.62
Rot. Bonds7

About N-(2-methyl-3-nitrophenyl)-4-(prop-2-enylsulfamoyl)benzamide

N-(2-methyl-3-nitrophenyl)-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 26796676) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID26796676
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC NameN-(2-methyl-3-nitrophenyl)-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1
InChIInChI=1S/C17H17N3O5S/c1-3-11-18-26(24,25)14-9-7-13(8-10-14)17(21)19-15-5-4-6-16(12(15)2)20(22)23/h3-10,18H,1,11H2,2H3,(H,19,21)
InChIKeyGLZQNLNWZHUQJV-UHFFFAOYSA-N
XLogP2.62
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(ethylsulfamoyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 26796668
N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258058
4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 43708480
N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 109058553
4-(ethylsulfanylmethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60528428
N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 18278951
N-(2-methyl-3-nitrophenyl)-4-phenylmethoxybenzamide
CID 9395656
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 1250809
4-(prop-2-enylsulfamoyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 55554211
(2-methyl-3-nitrophenyl)urea
CID 22416531
N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258037
N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide
CID 34545917

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-(2-methyl-3-nitrophenyl)-4-(prop-2-enylsulfamoyl)benzamide (CID 26796676) is N-(2-methyl-3-nitrophenyl)-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1.
What is the InChIKey of N-(2-methyl-3-nitrophenyl)-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is GLZQNLNWZHUQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-3-11-18-26(24,25)14-9-7-13(8-10-14)17(21)19-15-5-4-6-16(12(15)2)20(22)23/h3-10,18H,1,11H2,2H3,(H,19,21).
What are the key properties of N-(2-methyl-3-nitrophenyl)-4-(prop-2-enylsulfamoyl)benzamide?
N-(2-methyl-3-nitrophenyl)-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 375.41 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-nitrophenyl)-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 26796676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).