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

C17H17Cl2N3O5S — CID 55835625

IUPAC4-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCNC(=O)c1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)ccc1Cl
InChIInChI=1S/C17H17Cl2N3O5S/c1-20-17(24)12-9-11(5-7-13(12)18)21-16(23)10-4-6-14(19)15(8-10)28(25,26)22(2)27-3/h4-9H,1-3H3,(H,20,24)(H,21,23)
InChIKeyRTZWTBGKKVLMEL-UHFFFAOYSA-N
MW446.31 g/mol
LogP2.79
Rot. Bonds6

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

4-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 55835625) has the molecular formula C17H17Cl2N3O5S and a molecular weight of 446.31 g/mol. Its IUPAC name is 4-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID55835625
Molecular FormulaC17H17Cl2N3O5S
Molecular Weight446.31 g/mol
Exact Mass445.03
IUPAC Name4-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCNC(=O)c1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)ccc1Cl
InChIInChI=1S/C17H17Cl2N3O5S/c1-20-17(24)12-9-11(5-7-13(12)18)21-16(23)10-4-6-14(19)15(8-10)28(25,26)22(2)27-3/h4-9H,1-3H3,(H,20,24)(H,21,23)
InChIKeyRTZWTBGKKVLMEL-UHFFFAOYSA-N
XLogP2.79
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.31
LogP ≤ 52.79
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-3-[methoxy(methyl)sulfamoyl]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 9158529
4-chloro-N-(4-chlorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27666735
N-(4-carbamoyl-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide
CID 56518228
4-chloro-N-(3,5-dimethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27667360
N-(4-bromo-3-methylphenyl)-4-chloro-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27667536
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-(4-methylsulfanylphenyl)benzamide
CID 27365356
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55609831
4-chloro-N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55532770
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-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-N-[4-chloro-3-(methylcarbamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide (CID 55835625) is 4-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide is CNC(=O)c1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is RTZWTBGKKVLMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O5S/c1-20-17(24)12-9-11(5-7-13(12)18)21-16(23)10-4-6-14(19)15(8-10)28(25,26)22(2)27-3/h4-9H,1-3H3,(H,20,24)(H,21,23).
What are the key properties of 4-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide?
4-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 446.31 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]-3-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 55835625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).