4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide

C17H18ClN3O5S — CID 9158529

IUPAC4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)cc1
InChIInChI=1S/C17H18ClN3O5S/c1-19-16(22)11-4-7-13(8-5-11)20-17(23)12-6-9-14(18)15(10-12)27(24,25)21(2)26-3/h4-10H,1-3H3,(H,19,22)(H,20,23)
InChIKeyWHZIVGNSALUMME-UHFFFAOYSA-N
MW411.87 g/mol
LogP2.13
Rot. Bonds6

About 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide

4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide (PubChem CID 9158529) has the molecular formula C17H18ClN3O5S and a molecular weight of 411.87 g/mol. Its IUPAC name is 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide
PubChem CID9158529
Molecular FormulaC17H18ClN3O5S
Molecular Weight411.87 g/mol
Exact Mass411.07
IUPAC Name4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)cc1
InChIInChI=1S/C17H18ClN3O5S/c1-19-16(22)11-4-7-13(8-5-11)20-17(23)12-6-9-14(18)15(10-12)27(24,25)21(2)26-3/h4-10H,1-3H3,(H,19,22)(H,20,23)
InChIKeyWHZIVGNSALUMME-UHFFFAOYSA-N
XLogP2.13
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55835625
4-chloro-N-(4-chlorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27666735
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-(4-methylsulfanylphenyl)benzamide
CID 27365356
4-chloro-N-(3,5-dimethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27667360
4-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55532770
N-(4-bromo-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27667536
N-(4-carbamoyl-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide
CID 56518228
4-chloro-N-(4-cyclopentylsulfanylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 46600086
4-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 30900607
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55609831
4-chloro-N-(2-iodophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27666744
4-chloro-N-[2-(dimethylsulfamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55983949

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide?
The IUPAC name of 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide (CID 9158529) is 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide is CNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)cc1.
What is the InChIKey of 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide?
The InChIKey is WHZIVGNSALUMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O5S/c1-19-16(22)11-4-7-13(8-5-11)20-17(23)12-6-9-14(18)15(10-12)27(24,25)21(2)26-3/h4-10H,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide?
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 411.87 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 9158529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).