2-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)benzamide

C16H16N2O6S — CID 7578693

IUPAC2-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C16H16N2O6S/c1-3-25(22,23)15-7-5-4-6-12(15)16(19)17-13-10-11(18(20)21)8-9-14(13)24-2/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyGPUCTMSBNQENQU-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.65
Rot. Bonds6

About 2-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)benzamide

2-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)benzamide (PubChem CID 7578693) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)benzamide
PubChem CID7578693
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC Name2-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C16H16N2O6S/c1-3-25(22,23)15-7-5-4-6-12(15)16(19)17-13-10-11(18(20)21)8-9-14(13)24-2/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyGPUCTMSBNQENQU-UHFFFAOYSA-N
XLogP2.65
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.65
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'}

Analyze 2-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxy-5-nitrophenyl)-2-propylsulfanylbenzamide
CID 17310401
butyl 2-[[2-(2-methoxy-5-nitroanilino)-2-oxoacetyl]amino]benzoate
CID 108514685
N-(2-chloro-4,5-dimethoxyphenyl)-2-ethylsulfonylbenzamide
CID 24684132
N-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide
CID 7603183
2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 4525624
2,5-dichloro-N-(2-methoxy-5-nitrophenyl)thiophene-3-carboxamide
CID 55374643
N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
CID 92556710
N-(2,5-diethoxyphenyl)-2-ethylsulfonylbenzamide
CID 33182974
N-(2-methoxy-5-nitrophenyl)-2-methylfuran-3-carboxamide
CID 844979
1-ethyl-3-(2-methoxy-5-nitrophenyl)urea
CID 75412823
N-(2-methoxy-5-nitrophenyl)-4-(methylsulfonylmethyl)benzamide
CID 51160494
4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2213710

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)benzamide?
The IUPAC name of 2-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)benzamide (CID 7578693) is 2-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)benzamide?
The canonical SMILES for 2-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)benzamide is CCS(=O)(=O)c1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of 2-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)benzamide?
The InChIKey is GPUCTMSBNQENQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-3-25(22,23)15-7-5-4-6-12(15)16(19)17-13-10-11(18(20)21)8-9-14(13)24-2/h4-10H,3H2,1-2H3,(H,17,19).
What are the key properties of 2-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)benzamide?
2-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)benzamide has a molecular weight of 364.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(2-methoxy-5-nitrophenyl)benzamide is sourced from PubChem (CID 7578693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).