4-chloro-3-[methoxy(methyl)sulfamoyl]-N-methyl-N-(3-propan-2-ylphenyl)benzamide

C19H23ClN2O4S — CID 47868276

IUPAC4-chloro-3-[methoxy(methyl)sulfamoyl]-N-methyl-N-(3-propan-2-ylphenyl)benzamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)N(C)c2cccc(C(C)C)c2)ccc1Cl
InChIInChI=1S/C19H23ClN2O4S/c1-13(2)14-7-6-8-16(11-14)21(3)19(23)15-9-10-17(20)18(12-15)27(24,25)22(4)26-5/h6-13H,1-5H3
InChIKeyJTOORKRCHCQQIG-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.92
Rot. Bonds6

About 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-methyl-N-(3-propan-2-ylphenyl)benzamide

4-chloro-3-[methoxy(methyl)sulfamoyl]-N-methyl-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 47868276) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-methyl-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[methoxy(methyl)sulfamoyl]-N-methyl-N-(3-propan-2-ylphenyl)benzamide
PubChem CID47868276
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name4-chloro-3-[methoxy(methyl)sulfamoyl]-N-methyl-N-(3-propan-2-ylphenyl)benzamide
SMILESCON(C)S(=O)(=O)c1cc(C(=O)N(C)c2cccc(C(C)C)c2)ccc1Cl
InChIInChI=1S/C19H23ClN2O4S/c1-13(2)14-7-6-8-16(11-14)21(3)19(23)15-9-10-17(20)18(12-15)27(24,25)22(4)26-5/h6-13H,1-5H3
InChIKeyJTOORKRCHCQQIG-UHFFFAOYSA-N
XLogP3.92
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-3-oxobutan-2-yl] 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722317
(2-oxo-1,2-diphenylethyl) 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 46825504
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722327
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55609831
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 9158529
(4-methoxycarbonylphenyl) 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 9192150
4-chloro-N-(4-chlorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27666735
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 4-chloro-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722333
4-chloro-N-(2-iodophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27666744
4-amino-5-chloro-2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)benzamide
CID 119752988
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55798173
4-chloro-N-(3,5-dimethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27667360

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-methyl-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-methyl-N-(3-propan-2-ylphenyl)benzamide (CID 47868276) is 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-methyl-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-methyl-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-methyl-N-(3-propan-2-ylphenyl)benzamide is CON(C)S(=O)(=O)c1cc(C(=O)N(C)c2cccc(C(C)C)c2)ccc1Cl.
What is the InChIKey of 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-methyl-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is JTOORKRCHCQQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-13(2)14-7-6-8-16(11-14)21(3)19(23)15-9-10-17(20)18(12-15)27(24,25)22(4)26-5/h6-13H,1-5H3.
What are the key properties of 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-methyl-N-(3-propan-2-ylphenyl)benzamide?
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-methyl-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 410.92 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[methoxy(methyl)sulfamoyl]-N-methyl-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 47868276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).