N-(5-fluoro-2-methylphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide

C17H19FN2O5S — CID 17459398

IUPACN-(5-fluoro-2-methylphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(F)ccc2C)cc1S(=O)(=O)N(C)OC
InChIInChI=1S/C17H19FN2O5S/c1-11-5-7-13(18)10-14(11)19-17(21)12-6-8-15(24-3)16(9-12)26(22,23)20(2)25-4/h5-10H,1-4H3,(H,19,21)
InChIKeyFMWDYFJIDQOYRI-UHFFFAOYSA-N
MW382.41 g/mol
LogP2.58
Rot. Bonds6

About N-(5-fluoro-2-methylphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide

N-(5-fluoro-2-methylphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 17459398) has the molecular formula C17H19FN2O5S and a molecular weight of 382.41 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID17459398
Molecular FormulaC17H19FN2O5S
Molecular Weight382.41 g/mol
Exact Mass382.10
IUPAC NameN-(5-fluoro-2-methylphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(F)ccc2C)cc1S(=O)(=O)N(C)OC
InChIInChI=1S/C17H19FN2O5S/c1-11-5-7-13(18)10-14(11)19-17(21)12-6-8-15(24-3)16(9-12)26(22,23)20(2)25-4/h5-10H,1-4H3,(H,19,21)
InChIKeyFMWDYFJIDQOYRI-UHFFFAOYSA-N
XLogP2.58
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9208555
N-(2-ethoxyphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9192356
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(5-fluoro-2-methylphenyl)-4-methoxybenzamide
CID 46520248
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide
CID 2085572
4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
CID 17443500
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 26773919
4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 17462586
N-(5-fluoro-2-methylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33314705
N-(2,4-difluorophenyl)-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295940
N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18198075
3-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methoxybenzamide
CID 55783314
2-(4-fluorophenoxy)ethyl 4-methoxy-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722382

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide (CID 17459398) is N-(5-fluoro-2-methylphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide is COc1ccc(C(=O)Nc2cc(F)ccc2C)cc1S(=O)(=O)N(C)OC.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is FMWDYFJIDQOYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O5S/c1-11-5-7-13(18)10-14(11)19-17(21)12-6-8-15(24-3)16(9-12)26(22,23)20(2)25-4/h5-10H,1-4H3,(H,19,21).
What are the key properties of N-(5-fluoro-2-methylphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide?
N-(5-fluoro-2-methylphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 382.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-4-methoxy-3-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 17459398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).